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2D Structure
Also known as: 7789-20-0, Heavy water, Deuterated water, Water-d2, Heavy water (d2o), Deuterium oxide [usan]
Molecular Formula
H2O
Molecular Weight
20.028  g/mol
InChI Key
XLYOFNOQVPJJNP-ZSJDYOACSA-N
FDA UNII
J65BV539M3

The isotopic compound of hydrogen of mass 2 (deuterium) with oxygen. (From Grant and Hackh's Chemical Dictionary, 5th ed) It is used to study mechanisms and rates of chemical or nuclear reactions, as well as biological processes.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
deuterated water
2.1.2 InChI
InChI=1S/H2O/h1H2/i/hD2
2.1.3 InChI Key
XLYOFNOQVPJJNP-ZSJDYOACSA-N
2.1.4 Canonical SMILES
O
2.1.5 Isomeric SMILES
[2H]O[2H]
2.2 Other Identifiers
2.2.1 UNII
J65BV539M3
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Heavy Water

2. Oxide, Deuterium

3. Water, Heavy

2.3.2 Depositor-Supplied Synonyms

1. 7789-20-0

2. Heavy Water

3. Deuterated Water

4. Water-d2

5. Heavy Water (d2o)

6. Deuterium Oxide [usan]

7. Deuteriumoxide

8. Water-d Sub(2)

9. Chebi:41981

10. J65bv539m3

11. Dideuterium Oxide

12. Mfcd00044636

13. Deuterium Oxide (usan)

14. Heavy Water-d2

15. D2o

16. Water(sup 2)-h2

17. Deuterium Oxide, 99.9 Atom % D

18. Deuterium Oxide (water-d2, Heavy Water)

19. Deuterium Oxide, "100%", 99.96 Atom % D

20. Einecs 232-148-9

21. Water, Heavy (d2-o)

22. Deuterium Oxide (water-d2, Heavy Water), Lc-nmr - Quality

23. Unii-j65bv539m3

24. Ai3-52352

25. Hsdb 8190

26. 2h

27. Deuterium Oxide 99.8atom%d

28. Water (2d)

29. (sup 2)h

30. (~2~h_2_)water

31. Water H-2

32. Deuterium Oxide [mi]

33. [(?h)oxy](?h)

34. Chembl1232306

35. Deuterium Oxide, 60 Atom % D

36. Deuterium Oxide, 70 Atom % D

37. Deuterium Oxide, 99 Atom % D

38. Dtxsid4051243

39. Deuterium Oxide, 99.9 Atom %d

40. Deuterium Oxide, 99.8 Atom % D

41. Water-d2 99.8atom%d, Heavy Water

42. Akos015904640

43. Deuterium Oxide, Extra, 99.994 Atom % D

44. Deuterium Oxide, Filtered, 99.8 Atom % D

45. W0002

46. W0004

47. D03703

48. H11944

49. A934838

50. Deuterium Oxide, "100%", 99.990 Atom % D

51. Deuterium Oxide, 99.9 Atom % D, Glass Distilled

52. Q155890

53. Deuterium Oxide, "100%", >=99.96 Atom % D

54. J-520218

55. Deuterium Oxide, 99.9 Atom % D, ~150 Dpm/ml Tritium

56. Deuterium Oxide, 100.0 Atom % D, >=99.96 Atom % D

57. Deuterium Oxide, Vetec(tm) Reagent Grade, 99.8 Atom % D

58. Deuterium Oxide, Contains 0.05 Wt% D4-tmsp Acid, Sodium Salt

59. Deuterium Oxide, Standard, 99.98 Atom %+/-0.01 Atom % D

60. Deuterium Oxide, 99.99 Atom % D (for D2o), Contains 1% Dss-d6

61. 142473-50-5

62. Deuterium Oxide, 99.9 Atom % D, Contains 0.05 Wt. % 3-(trimethylsilyl)propionic-2,2,3,3-d4 Acid, Sodium Salt

63. Deuterium Oxide, 99.9 Atom % D, Contains 0.75 Wt. % 3-(trimethylsilyl)propionic-2,2,3,3-d4 Acid, Sodium Salt

64. Deuterium Oxide, 99.9 Atom % D, Contains 1 % (w/w) 3-(trimethylsilyl)-1-propanesulfonic Acid, Sodium Salt (dss)

65. Deuterium Oxide, 99.994 Atom % D, Contains 1 Mm Terephthalic Acid Disodium Salt, 0.01 % (w/v) Dss-d6

2.4 Create Date
2004-09-16
3 Chemical and Physical Properties
Molecular Weight 20.028 g/mol
Molecular Formula H2O
XLogP3-0.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass20.023118175 g/mol
Monoisotopic Mass20.023118175 g/mol
Topological Polar Surface Area1 Ų
Heavy Atom Count1
Formal Charge0
Complexity0
Isotope Atom Count2
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

EXPL THER Deuterium-enriched water has an antiproliferative effect on transplantable mouse tumors without toxic side effects. Since the response to treatment of human carcinomas growing in nude mice is deemed to be a good indicator of the potential clinical behavior of these tumors, we studied the influence of this stable isotope of hydrogen on the growth of xenotransplanted human carcinomas of various histologic types, grades, and primary sites. Seven-week-old Balb/c-nu/nu mice were inoculated subcutaneously, either with oropharyngeal squamous cell carcinomas or with carcinomas of the large intestine. After tumor inoculation, the mice were given drinking water containing 30 atom% D2O. Heavy water effectively retarded the growth of the human carcinomas. At the end of the experiment, the weight of the tumors was reduced to values ranging from 22% to 65% of the control values. The reproducible antiproliferative effect was more conspicuous in poorly differentiated carcinomas than in moderately well-differentiated variants. Since animals in both groups, kept under identical conditions, drank the same amount of water and had similar body weights, the difference in tumor growth can be attributed to the moderate deuteration of the hosts.

PMID:2839279 Altermatt HJ et al; Cancer 62 (3): 462-6 (1988)


EXPL THER The poliomyelitis eradication programme relies largely on the massive administration of the oral poliovirus vaccine (OPV). The major difficulty in assuring good vaccine coverage, especially in hot climates, is the thermostability of the vaccine. Several attempts have been made to stabilize the OPV with limited benefits. In this report, we describe a heavy water based stabilization procedure, which has been shown to increase the thermostability of the vaccine, notably at temperatures which are commonly encountered during usual transportation in conditions of cold chain failure. Safety considerations regarding the human use of heavy water containing bioproducts are discussed.

PMID:8854013 Crainic R et al; Dev Biol Stand 87: 161-6 (1996)


5 Pharmacology and Biochemistry
5.1 MeSH Pharmacological Classification

Radiation-Protective Agents

Drugs used to protect against ionizing radiation. They are usually of interest for use in radiation therapy but have been considered for other purposes, e.g. military. (See all compounds classified as Radiation-Protective Agents.)


Antineoplastic Agents

Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)


5.2 Mechanism of Action

The patterns of radioactively labeled proteins from cultured chicken embryo cells stressed in the presence of either D2O or glycerol were analyzed by using one-dimensional polyacrylamide gel electrophoresis. These hyperthermic protectors blocked the induction of stress proteins during a 1-hour heat shock at 44 degrees C. The inhibitory effect of glycerol but not D2O on the induction of heat shock proteins could be overcome by increased temperature. By using transcriptional run-on assays of isolated nuclei and cDNA probes to detect hsp70- and hsp88-specific RNA transcripts, it was shown that the D2O and glycerol blocks occurred at or before transcriptional activation of the hsp70 and hsp88 genes. After heat-stressed cells were returned to 37 degrees C and the protectors were removed, heat shock proteins were inducible by a second heating. This result and the fact that the chemical stressor sodium arsenite induced stress proteins in glycerol medium indicated that the treatments did not irreversibly inhibit the induction pathways and that the stress response could be triggered even in the presence of glycerol by a stressor other than heat. In principle then, cells incurring thermal damage during a 1-hour heat shock at 44 degrees C in D2O or glycerol medium should be competent to respond by inducing heat shock proteins during a subsequent recovery period at 37 degrees C in normal medium. We found that heat shock proteins were not induced in recovering cells, suggesting that glycerol and D2O protected heat-sensitive targets from thermal damage. Evidence that the heat-sensitive target(s) is likely to be a protein(s) is summarized. During heat shocks of up to 3 hours duration, neither D2O nor glycerol significantly altered hsp23 gene activity, a constitutively expressed chicken heat shock gene whose RNA transcripts and protein products are induced by stabilization (increased half-life). During a 2-hour heat shock, glycerol treatment blocked the heat-induced stabilization of hsp23 RNA and proteins; however, D2O treatment only blocked RNA transcript stabilization, effectively uncoupling the hsp23 protein stabilization pathway from hsp23 RNA stabilization and transcriptional activation of hsp70 and hsp88 genes.

PMID:2469684 Edington BV et al; J Cell Physiol 139 (2): 219-28 (1989)