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Substance Name: Anordrin
RN: 56470-64-5
UNII: 6R25F2A061
InChIKey: NOECSYBNZHIVHW-LKADTRSGSA-N

Molecular Formula

  • C28-H38-O4

Molecular Weight

  • 438.6042
 

Classification Codes

  • Antineoplastic Agents
  • Contraceptive Agents
  • Contraceptive Agents, Female
  • Contraceptives, Oral
  • Contraceptives, Oral, Synthetic
  • Contraceptives, Postcoital
  • Drug / Therapeutic Agent
  • Hormone
  • Luteolytic Agents
  • Reproductive Control Agents
  • Reproductive Effect
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Names and Synonyms

Name of Substance

  • Anordrin

Synonyms

  • 2-alpha,17-alpha-Diethynyl-A-nor-5-alpha-androstane-2-beta,17-beta-diol dipropionate
  • 2-epsilon,17-alpha-Diethynyl, A-nor-androstane-2-epsilon, 17-beta-dihydroxydipropinate
  • A-Norpregn-20-yne-2,17-diol, 2-ethynyl-, dipropanoate, (2beta,5alpha,17alpha)-
  • AF-53
  • alpha-Anordrin
  • Anordrin
  • UNII-6R25F2A061

Systematic Names

  • 2,17alpha-Diethynyl-A-norandrostane-2,17beta-dihydroxydipropionate
  • A-Norpregn-20-yne-2,17-diol, 2-ethynyl-, dipropanoate, (2-beta,5-alpha,17-alpha)-
  • Dicyclopenta(a,f)naphthalene-1,7-diol, 1,7-diethynylhexadecahydro-8a,10a-dimethyl-, dipropanoate, (1R,3aS,3bR,5aS,7R,8aS,8bS,10aS)-
  • Dicyclopenta(a,f)naphthalene-1,7-diol, 1,7-diethynylhexadecahydro-8a,10a-dimethyl-, dipropanoate, (1R-(1alpha,3abeta,3balpha,5abeta,7alpha,8aalpha,8bbeta,10aalpha))-

Registry Numbers

CAS Registry Number

  • 56470-64-5

FDA UNII

  • 6R25F2A061

Other Registry Number

  • 64682-10-6

System Generated Number

  • 0056470645

Structure Descriptors

InChI

1S/C28H38O4/c1-7-23(29)31-27(9-3)17-19-11-12-20-21(25(19,5)18-27)13-15-26(6)22(20)14-16-28(26,10-4)32-24(30)8-2/h3-4,19-22H,7-8,11-18H2,1-2,5-6H3/t19-,20+,21-,22-,25-,26-,27+,28-/m0/s1

InChIKey

NOECSYBNZHIVHW-LKADTRSGSA-N

Smiles

CCC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@](C4)(C#C)OC(=O)CC)C)C)C#C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 6mg/kg (6mg/kg)   Drugs of the Future. Vol. 22, Pg. 1073, 1997.
mouse LD50 oral 109mg/kg (109mg/kg)   Drugs of the Future. Vol. 22, Pg. 1073, 1997.