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Substance Name: Androst-4-ene-3-beta,17-alpha-diol, 17-beta-(2-amino-4-thiazolyl)-, ethanolate
RN: 95529-39-8
InChIKey: JNLZBVAWBRCDMN-RIUSIMAQSA-O

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H32-N2-O2-S.C2-H6-O

Molecular Weight

  • 434.641
 
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Names and Synonyms

Synonym

  • 17-beta-(2-Amino-4-thiazolyl)androst-4-ene-3-beta,17-alpha-diol ethanol salt

Systematic Name

  • Androst-4-ene-3-beta,17-alpha-diol, 17-beta-(2-amino-4-thiazolyl)-, ethanolate

Registry Numbers

CAS Registry Number

  • 95529-39-8

System Generated Number

  • 0095529398

Molecular Formulas

Molecular Formula

  • C22-H32-N2-O2-S.C2-H6-O

Molecular Formula Fragments

  • C2-H6-O
  • C22-H32-N2-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C22H32N2O2S.C2H5O/c1-20-8-5-14(25)11-13(20)3-4-15-16(20)6-9-21(2)17(15)7-10-22(21,26)18-12-27-19(23)24-18;1-2-3/h11-12,14-17,25-26H,3-10H2,1-2H3,(H2,23,24);2H2,1H3/q;-1/p+1/t14-,15+,16-,17-,20-,21-,22-;/m0./s1

InChIKey

JNLZBVAWBRCDMN-RIUSIMAQSA-O

Smiles

C1[C@@]2(C)[C@H]([C@H]3[C@H]([C@@]4(C(=C[C@@H](O)CC4)CC3)C)C1)CC[C@@]2(c1nc([NH2+])sc1)O.C(C)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LDLo parenteral 30mg/kg (30mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 11, Pg. 613, 1963.
pigeon LDLo parenteral 2100ug/kg (2.1mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 11, Pg. 613, 1963.