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Chemistry

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Also known as: Carbonic anhydride, Dry ice, 124-38-9, Carbonic acid gas, Carbonic acid anhydride, Carbonica
Molecular Formula
CO2
Molecular Weight
44.009  g/mol
InChI Key
CURLTUGMZLYLDI-UHFFFAOYSA-N
FDA UNII
142M471B3J

Carbon Dioxide
A colorless, odorless gas that can be formed by the body and is necessary for the respiration cycle of plants and animals.
Carbon dioxide is a Radiographic Contrast Agent. The mechanism of action of carbon dioxide is as a X-Ray Contrast Activity.
1 2D Structure

Carbon Dioxide

2 Identification
2.1 Computed Descriptors
2.1.1 InChI
InChI=1S/CO2/c2-1-3
2.1.2 InChI Key
CURLTUGMZLYLDI-UHFFFAOYSA-N
2.1.3 Canonical SMILES
C(=O)=O
2.2 Other Identifiers
2.2.1 UNII
142M471B3J
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Anhydride, Carbonic

2. Carbonic Anhydride

3. Dioxide, Carbon

2.3.2 Depositor-Supplied Synonyms

1. Carbonic Anhydride

2. Dry Ice

3. 124-38-9

4. Carbonic Acid Gas

5. Carbonic Acid Anhydride

6. Carbonica

7. Carbon Oxide, Di-

8. Methanedione

9. Kohlendioxyd

10. Kohlensaure

11. Khladon 744

12. Co2

13. Anhydride Carbonique

14. Dioxomethane

15. Cardice

16. Drikold

17. Hsdb 516

18. R 744

19. Un1013

20. Un1845

21. Un2187

22. Carbon Oxide (co2)

23. Dry Ice (solid Form)

24. Ins No.290

25. E-290

26. Chebi:16526

27. Ins-290

28. 142m471b3j

29. E290

30. After-damp

31. Aer Fixus

32. 18923-20-1

33. Kohlensaure [german]

34. Caswell No. 163

35. Kohlendioxyd [german]

36. Dioxido De Carbono

37. Dioxyde De Carbone

38. Dioxyde De Carbone [french]

39. Dioxido De Carbono [spanish]

40. Anhydride Carbonique [french]

41. Carbon Dioxide [usp]

42. Einecs 204-696-9

43. Epa Pesticide Chemical Code 016601

44. Carbondioxide

45. Dioxidocarbon

46. Epoxyketone

47. Dricold

48. Carbon Dioxid

49. Dry-ice

50. Dioxomethane #

51. Methane, Dioxo-

52. Unii-142m471b3j

53. Carbon Dioxide, Refrigerated Liquid

54. Carbonic Acid, Gas

55. Makr Carbon Dioxide

56. Carbon-12 Dioxide

57. Carbon Dioxide (tn)

58. Carbon-dioxide

59. Carbon Dioxide [ii]

60. Carbon Dioxide [mi]

61. Carbon Dioxide [fcc]

62. Carbon Dioxide [jan]

63. Carbon Dioxide (jp17/usp)

64. Carbon Dioxide [hsdb]

65. Carbon Dioxide [inci]

66. Carbon Dioxide, >=99.8%

67. Carbon Dioxide [vandf]

68. Carbon Dioxide [mart.]

69. Carbon Dioxide [who-dd]

70. Chembl1231871

71. Dtxsid4027028

72. Bdbm10856

73. Carbon Dioxide, Solid Or Dry Ice

74. [co2]

75. Carbon Dioxide [green Book]

76. Carbon Dioxide [ep Impurity]

77. Nsc-81688

78. Carbon Dioxide [ep Monograph]

79. Carbon Dioxide [usp Monograph]

80. Db09157

81. Un 1013

82. Un 1845

83. Un 2187

84. Carbon Dioxide, Puriss., >=99.998%

85. E 290

86. Ft-0690212

87. Q1997

88. C00011

89. Carbon Dioxide [un1013] [nonflammable Gas]

90. Carbon Dioxide, Messer(r) Cangas, 99.995%

91. D00004

92. Carbon Dioxide, Solid Or Dry Ice [un1845] [class 9]

93. Carbon Dioxide (99.8%), Cylinder Of 14 L, Analytical Standard

94. Carbon Dioxide (99.8%), Cylinder Of 48 L, Analytical Standard

95. Carbon Dioxide, Refrigerated Liquid [un2187] [nonflammable Gas]

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 44.009 g/mol
Molecular Formula CO2
XLogP30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass43.989829239 g/mol
Monoisotopic Mass43.989829239 g/mol
Topological Polar Surface Area34.1 Ų
Heavy Atom Count3
Formal Charge0
Complexity18.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Drug and Medication Information
4.1 Therapeutic Uses

CO2 can be used to flood the surgical field during cardiac surgery. Because of its density, carbon dioxide displaces the air surrounding the open heart so that any gas bubbles trapped in the heart are carbon dioxide rather than insoluble nitrogen. Similarly, CO2 is used to de-bubble cardiopulmonary bypass and extracorporeal membrane oxygenation (ECMO) circuits. It is used to adjust pH during cardiopulmonary bypass procedures when a patient is cooled.

Brunton, L. Chabner, B, Knollman, B. Goodman and Gillman's The Pharmaceutical Basis of Therapeutics, Twelth Edition, McGraw Hill Medical, New York, NY. 2011, p. 558


Hypocarbia results in ... decreased blood pressure and vasoconstriction in skin, intestine, brain, kidney, and heart. These actions are exploited clinically in the use of hyperventilation to diminish intracranial hypertension.

Brunton, L. Chabner, B, Knollman, B. Goodman and Gillman's The Pharmaceutical Basis of Therapeutics, Twelth Edition, McGraw Hill Medical, New York, NY. 2011, p. 557


CO2 is used for insufflation during endoscopic procedures (e.g., laparoscopic surgery) because it is highly soluble and does not support combustion. Inadvertent gas emboli thus are dissolved and eliminated more easily via the respiratory system.

Brunton, L. Chabner, B, Knollman, B. Goodman and Gillman's The Pharmaceutical Basis of Therapeutics, Twelth Edition, McGraw Hill Medical, New York, NY. 2011, p. 558


Medication (Vet): wart destruction

Rossoff, I.S. Handbook of Veterinary Drugs. New York: Springer Publishing Company, 1974., p. 82


For more Therapeutic Uses (Complete) data for Carbon dioxide (8 total), please visit the HSDB record page.


4.2 Drug Warning

In patients who are hypoventilating from /CNS depressants/ or anesthetics, increasing PCO2 may result in further CNS depression, which in turn may worsen the respiratory depression.

Brunton, L. Chabner, B, Knollman, B. Goodman and Gillman's The Pharmaceutical Basis of Therapeutics, Twelth Edition, McGraw Hill Medical, New York, NY. 2011, p. 558


Since carbon dioxide is the most potent cerebrovascular dilator known, it should not be used in patients with increased intracranial pressure, intracranial bleeding, expanding lesions, head injury, or in those in coma.

American Medical Association, Council on Drugs. AMA Drug Evaluations. 2nd ed. Acton, Mass.: Publishing Sciences Group, Inc., 1973., p. 507


The inhalation of high concentrations of carbon dioxide (about 50%) produces marked cortical and subcortical depression of a type similar to that produced by anesthetic agents.

Brunton, L. Chabner, B, Knollman, B. Goodman and Gillman's The Pharmaceutical Basis of Therapeutics, Twelth Edition, McGraw Hill Medical, New York, NY. 2011, p. 558


4.3 Drug Indication

Carbon dioxide is commonly used as an insufflation gas for minimal invasive surgery (laparoscopy, endoscopy, and arthroscopy) to enlarge and stabilize body cavities to provide better visibility of the surgical area. It has been used also in cryotherapy and as respiratory stimulant before and after anesthesia. It could be used also in expansion of blood vessels if required, to increase carbon dioxide level after rapid breathing, and to stimulate breathing after a period of nonbreathing.


5 Pharmacology and Biochemistry
5.1 Pharmacology

Data not found.


5.2 FDA Pharmacological Classification
5.2.1 Active Moiety
CARBON DIOXIDE
5.2.2 FDA UNII
142M471B3J
5.2.3 Pharmacological Classes
X-Ray Contrast Activity [MoA]; Radiographic Contrast Agent [EPC]
5.3 ATC Code

V - Various

V03 - All other therapeutic products

V03A - All other therapeutic products

V03AN - Medical gases

V03AN02 - Carbon dioxide


5.4 Absorption, Distribution and Excretion

Absorption

Data not found.


Route of Elimination

Data not found.


Volume of Distribution

Data not found.


Clearance

Data not found.


Carbon dioxide is excreted by the lungs and, in the form of bicarbonate ion, by the kidney, intestine and skin.

Osol, A., and R. Pratt. (eds.). The United States Dispensatory. 27th ed. Philadelphia: J.B. Lippincott, 1973., p. 231


Carbon dioxide is produced by metabolism at approximately the same rate as O2 is consumed. At rest, this value is about 3 mL/kg per minute, but it may increase dramatically with heavy exercise. Carbon dioxide diffuses readily from the cells into the blood, where it is carried partly as bicarbonate ion (HCO3-), partly in chemical combination with hemoglobin and plasma proteins, and partly in solution at a partial pressure of about 6 kPa (46 mmHg) in mixed venous blood. CO2 is transported to the lung, where it is normally exhaled at the rate it is produced, leaving a partial pressure of about 5.2 kPa (40 mmHg) in the alveoli and in arterial blood.

Brunton, L. Chabner, B, Knollman, B. Goodman and Gillman's The Pharmaceutical Basis of Therapeutics, Twelth Edition, McGraw Hill Medical, New York, NY. 2011, p. 557


Gases and vapors known to be absorbed (or excreted) by the skin include ... carbon dioxide. ... About 2.7% of the carbon dioxide produced is excreted by /the skin/.

Hayes, W.J., Jr., E.R. Laws Jr., (eds.). Handbook of Pesticide Toxicology Volume 1. General Principles. New York, NY: Academic Press, Inc., 1991., p. 139


5.5 Metabolism/Metabolites

Not metabolized.


Carbon dioxide is produced by the body's metabolism and is always present in the body at about 6% concentration. An average adult human will produce more than 500 g of carbon dioxide daily under resting conditions, and will produce much more when active. Additional carbon dioxide has several effects on the body, and responses are immediate. It stimulates breathing, which exhales the carbon dioxide carried to the lungs from the cells by the bloodstream. An increase in carbon dioxide concentration stimulates the heart rate, increases the blood pressure, increases adrenalin flow, and relaxes the vascular smooth muscles. In addition, carbon dioxide reacts with water in the body to form carbonic acid, which dissociates to hydrogen ion and bicarbonate. An increase in carbon dioxide in the body increases acidity, and then the kidneys act to restore normal acidity.

USEPA/Office of Pesticide Programs; Reregistration Eligibility Decision Document - Carbon and Carbon Dioxide pp.8-9 EPA-4019 (September 1991). Available from, as of November 23, 2009: https://www.epa.gov/pesticides/reregistration/status.htm


Perturbation of mitochondrial metabolism, oxidative phosphorylation or Krebs cycle affects embryogenesis. These studies assess the effects of altering pyruvate metabolism in 3-5 somite mouse embryos in whole embryo culture. ... To establish that pyruvate is metabolized during organogenesis the rates of (14)C-carbon dioxide production from 3-(14)C-pyruvate by conceptuses in vitro were measured on days 9-12. The rates of carbon dioxide production incr with incr gestational age. ... The rate of carbon dioxide production from pyruvate by day 10 yolk sac was 10 times greater than that by the embryo proper. Fluoroacetate produced a time and concn dependent reduction in carbon dioxide production in day 10 conceptuses. These studies demonstrate that pyruvate is metabolized by Krebs cycle during organogenesis. alpha-Cyano-4-hydroxycinnamate inhibits transport of pyruvate from cytosol to mitochondria. Embryos exposed to alpha-Cyano-4-hydroxycinnamate exhibited neural tube defects (11/12 at 1,000 uM). Thus, alterations of utilization of pyruvate is teratogenic to cultured embryos. Pyruvate dehydrogenase is inhibited via phosphorylation by E1-kinase. Dichloroacetate inhibits e1-kinase resulting incr pyruvate dehydrogenase activity and incr metabolism of pyruvate by Krebs cycle. Dichloroacetate produced neural tube defects in 0/12 embryos at 100 uM and 6/15 embryos at 500 uM. ... Pyruvate is metabolized during organogenesis and that proper regulation of pyruvate is metabolized during organogenesis and that proper regulation of pyruvate transport and metabolism is essential for normal development.

Hunter ES; Teratol 49 (5): 394 (1994)


5.6 Biological Half-Life

Data not found.


5.7 Mechanism of Action

Data not found.


Supercritical carbon dioxide possesses germicide (bactericide and sporicide) effect. Despite of the fact, that this effect is used in industrial sterilization processes, the sterilization mechanism at molecular level is unclear. Our hypotheses can provide a molecular-biological explanation for the phenomenon. We believe that in supercritical state CO(2) reacts competitively with Met-tRNA(fMet), the formation rate and the amount of formyl-methionyl-tRNA (fMet-tRNA(fMet)) will be diminished by irreversible substrate consumption. The fMet-tRNA(fMet) possesses a key role in prokaryotic protein synthesis, being almost exclusively the initiator aminoacyl-tRNA. The formed carbamoyl-methionyl-tRNA (cMet-tRNA(fMet)), probably stable only under pressure and high CO(2) concentration, is stabilized by forming a ternary molecular complex with the GTP-form of the translational initiation factor 2 (GTP-IF2). This complex is unable to dissociate from preinitiation 70S ribosomal complex because of strong polar binding between the protein C-2 domain and the modified initiator aminoacyl-tRNA. The IF2-fMet-tRNA(fMet)-blocked 70S ribosomal preinitiation complex does not decompose following the GTP hydrolysis, becoming unable to synthesize proteins. The death of the microbial cell is caused by inhibition of the protein synthesis and energetic depletion. Moreover, we propose a possible mechanism for the accumulation of cMet-tRNA(fMet) in the bacterial cell. Since the translational process is an important target for antibiotics, the proposed mechanism could be a work hypothesis for discovery of new antibiotics. Made by high conservative character of prokaryotic translation initiation, the proposed IF2 pathway deterioration strategy may conduct to obtaining selective (with low mammalian toxicity) antimicrobials and at the same time, with reduced possibility of the drug resistance development.

PMID:19765910 Andras CD et al; Med Hypotheses 74 (2): 325-9 (2010)


... Well fed C. elegans (roundworm) avoid CO2 levels above 0.5%. Animals can respond to both absolute CO2 concentrations and changes in CO2 levels within seconds. Responses to CO2 do not reflect avoidance of acid pH but appear to define a new sensory response. Sensation of CO2 is promoted by the cGMP-gated ion channel subunits TAX-2 and TAX-4, but other pathways are also important. Robust CO2 avoidance in well fed animals requires inhibition of the DAF-16 forkhead transcription factor by the insulin-like receptor DAF-2. Starvation, which activates DAF-16, strongly suppresses CO2 avoidance. Exposure to hypoxia (<1% O2) also suppresses CO2 avoidance via activation of the hypoxia-inducible transcription factor HIF-1. The npr-1 215V allele of the naturally polymorphic neuropeptide receptor npr-1, besides inhibiting avoidance of high ambient O2 in feeding C. elegans, also promotes avoidance of high CO2. C. elegans integrates competing O2 and CO2 sensory inputs so that one response dominates. Food and allelic variation at NPR-1 regulate which response prevails. These results suggest that multiple sensory inputs are coordinated by C. elegans to generate different coherent foraging strategies.

PMID:18524954 Full text: https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2410288 Bretscher AJ et al; Proc Nat Acad Sci USA 105 (23): 8044-9 (2008)


... Adult Caenorhabditis elegans (roundworm) display an acute avoidance response upon exposure to CO2 that is characterized by the cessation of forward movement and the rapid initiation of backward movement. This response is mediated by a cGMP signaling pathway that includes the cGMP-gated heteromeric channel TAX-2/TAX-4. CO2 avoidance is modulated by multiple signaling molecules, including the neuropeptide Y receptor NPR-1 and the calcineurin subunits TAX-6 and CNB-1. Nutritional status also modulates CO2 responsiveness via the insulin and TGFbeta signaling pathways. CO2 response is mediated by a neural circuit that includes the BAG neurons, a pair of sensory neurons of previously unknown function. TAX-2/TAX-4 function in the BAG neurons to mediate acute CO2 avoidance. ... C. elegans senses and responds to CO2 using multiple signaling pathways and a neural network that includes the BAG neurons and this response is modulated by the physiological state of the worm.

PMID:18524955 Full text: https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2430355 Hallem EA, Sternberg PW; Proc Nat Acad Sci USA 105 (23): 8038-43 (2008)


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18-Feb-2022
14-Oct-2024
KGS
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Average Price (USD/KGS)

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Total Value (USD)

Quantity (KGS) & Unit rate (USD/KGS) over time

API Imports and Exports

Importing Country Total Quantity
(KGS)
Average Price
(USD/KGS)
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