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Substance Name: Androstan-17-aminium, 3-hydroxy-N,N,N-trimethyl-, iodide, (3-beta,5-alpha,17-beta)-
RN: 114967-76-9
InChIKey: YFQSUCDXAVSPGA-GJCRUXJGSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H40-N-O.I

Molecular Weight

  • 461.464
 
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Names and Synonyms

Synonym

  • Ammonium, (3-beta-hydroxy-5-alpha-androstan-17-beta-yl)trimethyl-, iodide

Systematic Name

  • Androstan-17-aminium, 3-hydroxy-N,N,N-trimethyl-, iodide, (3-beta,5-alpha,17-beta)-

Registry Numbers

CAS Registry Number

  • 114967-76-9

System Generated Number

  • 0114967769

Molecular Formulas

Molecular Formula

  • C22-H40-N-O.I

Molecular Formula Fragments

  • C22-H40-N-O
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C22H40NO.HI/c1-21-12-10-16(24)14-15(21)6-7-17-18-8-9-20(23(3,4)5)22(18,2)13-11-19(17)21;/h15-20,24H,6-14H2,1-5H3;1H/q+1;/p-1/t15-,16-,17-,18-,19-,20-,21-,22-;/m0./s1

InChIKey

YFQSUCDXAVSPGA-GJCRUXJGSA-M

Smiles

C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4[N+](C)(C)C)C)O.[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 17500ug/kg (17.5mg/kg)   Pharmaceutical Chemistry Journal Vol. 22, Pg. 207, 1988.