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Substance Name: Pregnane-17,20-diol, 3-amino-, hydrochloride, (3-alpha,5-alpha,20S)-
RN: 82858-42-2
InChIKey: GDUQSNQCQDAVMO-FAZAZBGPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H37-N-O2.Cl-H

Molecular Weight

  • 371.9892
 
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Names and Synonyms

Synonyms

  • (20S)-3-alpha-Amino (5-alpha) pregnane 17-alpha,20-diol hydrochloride
  • (3-alpha,5-alpha,20S)-3-Aminopregnane-17,20-diol hydrochloride

Systematic Name

  • Pregnane-17,20-diol, 3-amino-, hydrochloride, (3-alpha,5-alpha,20S)-

Registry Numbers

CAS Registry Number

  • 82858-42-2

System Generated Number

  • 0082858422

Molecular Formulas

Molecular Formula

  • C21-H37-N-O2.Cl-H

Molecular Formula Fragments

  • C21-H37-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H37NO2.ClH/c1-13(23)21(24)11-8-18-16-5-4-14-12-15(22)6-9-19(14,2)17(16)7-10-20(18,21)3;/h13-18,23-24H,4-12,22H2,1-3H3;1H/t13-,14-,15+,16+,17-,18-,19-,20-,21-;/m0./s1

InChIKey

GDUQSNQCQDAVMO-FAZAZBGPSA-N

Smiles

C[C@@H]([C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)N)C)C)O)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 60mg/kg (60mg/kg)   British UK Patent Application. Vol. #2087893,
mouse LD oral > 200mg/kg (200mg/kg)   British UK Patent Application. Vol. #2087893,