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Synopsis

Synopsis

ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 485-31-4, Endosan, Dinapacryl, Acricid, Dapacryl, Morocide
Molecular Formula
C15H18N2O6
Molecular Weight
322.31  g/mol
InChI Key
ZRDUSMYWDRPZRM-UHFFFAOYSA-N
FDA UNII
4X685BB13A

Binapacryl
1 2D Structure

Binapacryl

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate
2.1.2 InChI
InChI=1S/C15H18N2O6/c1-5-10(4)12-7-11(16(19)20)8-13(17(21)22)15(12)23-14(18)6-9(2)3/h6-8,10H,5H2,1-4H3
2.1.3 InChI Key
ZRDUSMYWDRPZRM-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C=C(C)C
2.2 Other Identifiers
2.2.1 UNII
4X685BB13A
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Binapacrile

2. Binapakril

2.3.2 Depositor-Supplied Synonyms

1. 485-31-4

2. Endosan

3. Dinapacryl

4. Acricid

5. Dapacryl

6. Morocide

7. Morrocid

8. Ambox

9. Dinoseb Methacrylate

10. Niagara 9044

11. Hoe 2784 Oa

12. Dinoseb, 3,3-dimethylacryl Ester

13. 2-(1-methylpropyl)-4,6-dinitrophenyl 3-methyl-2-butenoate

14. Fmc 9044

15. Hoe 2784

16. Nia 9044

17. Ent 25,793

18. 2-sec-butyl-4,6-dinitrophenyl Senecioate

19. (2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate

20. 2,4-dinitro-6-sec-butylphenyl 2-methylcrotonate

21. 2-sec-butyl-4,6-dinitrophenyl 3-methylcrotonate

22. 2-sec-butyl-4,6-dinitrophenyl 3-methyl-2-butenoate

23. 2-sec-butyl-4,6-dinitrophenyl-3,3-dimethylacrylate

24. 4,6-dinitrophenyl-2-sec-butyl-3-methyl-2-butenonate

25. 2-butenoic Acid, 3-methyl-, 2-(1-methylpropyl)-4,6-dinitrophenyl Ester

26. Phenol, 2-sec-butyl-4,6-dinitro-, 3-methylcrotonate

27. 3-methylcrotonic Acid 2-sec-butyl-4,6-dinitrophenyl Ester

28. 3,3-dimethylacrylic Acid 2-sec-butyl-4,6-dinitrophenyl Ester

29. 3-methyl-2-butenoic Acid 2-sec-butyl-4,6-dinitrophenyl Ester

30. Chebi:83366

31. Crotonic Acid, 3-methyl-, 2-sec-butyl-4,6-dinitrophenyl Ester

32. 3-methyl-2-butenoic Acid 2-(1-methylpropyl)-4,6-dinitrophenyl Ester

33. 4x685bb13a

34. 2-sek.butyl-4,6-dinitrofenylester Kyseliny 3-methylkrotonove

35. (6-(1-metil-propil)-2,4-dinitro-fenil)-3,3-dimetil-acrilato

36. (6-(1-methyl-propyl)-2,4-dinitro-fenyl)-3,3-dimethyl-acrylaat

37. (6-(1-methyl-propyl)-2,4-dinitro-phenyl)-3,3-dimethyl-acrylat

38. 3,3 Dimethyl-acrylate De 2,4-dinitro-6-(1-methylpropyle) Phenyle

39. 2-sec-butyl-4,6-dinitrophenyl 3-methylbut-2-enoate

40. Caswell No. 086

41. 4,6-dinitrophenyl-2-(1-methylpropyl) 3-methylbut-2-enoate

42. 2-butenoic Acid,3-methyl-, 2-(1-methylpropyl)-4,6-dinitrophenyl Ester

43. 2-butenoic Acid, 3-methyl-, 2-(1-methylpropyl)-4,6-dinitrophenyl Ester (9ci)

44. Binapacryl [ansi:bsi:iso]

45. Hsdb 1518

46. Einecs 207-612-9

47. Epa Pesticide Chemical Code 012201

48. Brn 2013712

49. Unii-4x685bb13a

50. Ai3-25793

51. Senecioic Acid 2-sec Butyl-4,6-dinitrophenyl Ester

52. Senecioic Acid 2-sec-butyl-4,6-dinitrophenyl Ester

53. 2-sec-butyl-4,6-dinitrophenyl Beta,beta-dimethylacrylate

54. 4,6-dinitro-2-sec-butylphenyl Beta,beta-dimethylacrylate

55. 2-(1-methylpropyl)-4,6-dinitrophenyl 3,3-dimethylacrylate

56. Binapacryl [mi]

57. 2-(1-methylpropyl)-4,6-dinitrophenyl Beta,beta-dimethacrylate

58. Binapacryl [iso]

59. Binapacryl [hsdb]

60. (6-(1-methyl-propyl)-2,4-dinitro-fenyl)-3,3-dimethyl-acrylaat [dutch]

61. (6-(1-metil-propil)-2,4-dinitro-fenil)-3,3-dimetil-acrilato [italian]

62. 2-sek.butyl-4,6-dinitrofenylester Kyseliny 3-methylkrotonove [czech]

63. (6-(1-methyl-propyl)-2,4-dinitro-phenyl)-3,3-dimethyl-acrylat [german]

64. 3,3 Dimethyl-acrylate De 2,4-dinitro-6-(1-methylpropyle) Phenyle [french]

65. 3,3 Dimethyl-acrylate De 2,4-dinitro-6-(1-methylpropyle)phenyl [french]

66. 3,3 Dimethyl-acrylate De 2,4-dinitro-6-(1-methylpropyle)phenyle [french]

67. Dsstox_cid_20269

68. Dsstox_rid_79462

69. Dsstox_gsid_40269

70. Schembl54301

71. Chembl3182974

72. Dtxsid9040269

73. Zrdusmywdrpzrm-uhfffaoysa-

74. 3,3 Dimethyl-acrylate De 2,4-dinitro-6-(1-methylpropyle)phenyl

75. 3,3 Dimethyl-acrylate De 2,4-dinitro-6-(1-methylpropyle)phenyle

76. Tox21_301554

77. Mfcd00055425

78. Akos015888368

79. Binapacryl 1000 Microg/ml In Hexane

80. Binapacryl 10 Microg/ml In Cyclohexane

81. Ncgc00255512-01

82. Cas-485-31-4

83. Db-051558

84. Ft-0603417

85. Binapacryl, Pestanal(r), Analytical Standard

86. C19022

87. Q3468507

88. (rs)-2-sec-butyl-4,6-dinitrophenyl 3-methylcrotonate

89. 2-(butan-2-yl)-4,6-dinitrophenyl 3-methylbut-2-enoate

90. 2-sec-butyl-4,6-dinitrophenyl 3-methylcrotonate (binapacryl)

91. 4,6-dinitro-2-sec-butylphenyl .beta.,.beta.-dimethylacrylate

92. 2-(1-methylpropyl)-4,6-dinitrophenyl .beta.,.beta.-dimethacrylate

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 322.31 g/mol
Molecular Formula C15H18N2O6
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass322.11648630 g/mol
Monoisotopic Mass322.11648630 g/mol
Topological Polar Surface Area118 Ų
Heavy Atom Count23
Formal Charge0
Complexity489
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 Absorption, Distribution and Excretion

BINAPACRYL WAS ABSORBED POORLY, IF AT ALL, THROUGH SKIN OF MICE AND RABBITS.

Menzie, C.M. Metabolism of Pesticides. U.S. Department of the Interior, Bureau of Sport Fisheries and Wildlife, Publication 127. Washington, DC: U.S. Government Printing Office, 1969., p. 170


After a single administration of binapacryl, both rats and rabbits excreted 7-17% in the urine within 48 hr. As late as the tenth day, 0.12% of the dose was detected in the urine of rats ... .

Hayes, Wayland J., Jr. Pesticides Studied in Man. Baltimore/London: Williams and Wilkins, 1982., p. 470


4.2 Metabolism/Metabolites

WHEN ADMINISTERED ORALLY TO GUINEA PIGS, THIS COMPOUND GIVES RISE TO ... /2-SEC-BUTYL-4,6-DINITROPHENOL/ IN BLOOD.

Menzie, C.M. Metabolism of Pesticides. U.S. Department of the Interior, Bureau of Sport Fisheries and Wildlife, Publication 127. Washington, DC: U.S. Government Printing Office, 1969., p. 170


Following oral doses of binapacryl, the urine of both rabbits and rats contained oxidation products of the butyl side chain of dinoseb, including the acid. In addition, rat urine contained traces of free 6-aminophenol and the urine of rabbits contained a substantial amount of this compound and its glucuronide.

Hayes, Wayland J., Jr. Pesticides Studied in Man. Baltimore/London: Williams and Wilkins, 1982., p. 470


4.3 Mechanism of Action

BASIC MECHANISM OF TOXICITY IS STIMULATION OF OXIDATIVE METABOLISM IN CELL MITOCHONDRIA, BY INTERFERENCE WITH NORMAL COUPLING OF CARBOHYDRATE OXIDN TO PHOSPHORYLATION (ADP TO ATP). INCR OXIDATIVE METABOLISM LEADS TO PYREXIA, TACHYCARDIA, & DEHYDRATION, & ULTIMATELY DEPLETES CARBOHYDRATE & FAT STORES. /NITROPHENOLIC COMPOUNDS/

Morgan, D.P. Recognition and Management of Pesticide Poisonings. EPA 540/9-80-005. Washington, DC: U.S. Government Printing Office, Jan. 1982., p. 23


API SUPPLIERS

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ABOUT THIS PAGE

Binapacryl Manufacturers

A Binapacryl manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of Binapacryl, including repackagers and relabelers. The FDA regulates Binapacryl manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. Binapacryl API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

Binapacryl Suppliers

A Binapacryl supplier is an individual or a company that provides Binapacryl active pharmaceutical ingredient (API) or Binapacryl finished formulations upon request. The Binapacryl suppliers may include Binapacryl API manufacturers, exporters, distributors and traders.

click here to find a list of Binapacryl suppliers with USDMF, JDMF, KDMF, CEP, GMP, COA and API Price related information on PharmaCompass.

Binapacryl USDMF

A Binapacryl DMF (Drug Master File) is a document detailing the whole manufacturing process of Binapacryl active pharmaceutical ingredient (API) in detail. Different forms of Binapacryl DMFs exist exist since differing nations have different regulations, such as Binapacryl USDMF, ASMF (EDMF), JDMF, CDMF, etc.

A Binapacryl DMF submitted to regulatory agencies in the US is known as a USDMF. Binapacryl USDMF includes data on Binapacryl's chemical properties, information on the facilities and procedures used, and details about packaging and storage. The Binapacryl USDMF is kept confidential to protect the manufacturer’s intellectual property.

click here to find a list of Binapacryl suppliers with USDMF on PharmaCompass.

Binapacryl GMP

Binapacryl Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

PharmaCompass offers a list of Binapacryl GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right Binapacryl GMP manufacturer or Binapacryl GMP API supplier for your needs.

Binapacryl CoA

A Binapacryl CoA (Certificate of Analysis) is a formal document that attests to Binapacryl's compliance with Binapacryl specifications and serves as a tool for batch-level quality control.

Binapacryl CoA mostly includes findings from lab analyses of a specific batch. For each Binapacryl CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

Binapacryl may be tested according to a variety of international standards, such as European Pharmacopoeia (Binapacryl EP), Binapacryl JP (Japanese Pharmacopeia) and the US Pharmacopoeia (Binapacryl USP).

Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.
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