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Substance Name: 1-Piperazineacetamide, N-(3-hydroxyandrostan-17-yl)-4-methyl-, (3-beta,5-alpha,17-beta)-
RN: 114967-70-3
InChIKey: QFBNAGXBPHDTHX-CUTQXZKCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H45-N3-O2

Molecular Weight

  • 431.6605
 
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Names and Synonyms

Synonym

  • 3-beta-Hydroxy-17-beta-((N-methylpiperazino)acetylamino)-5-alpha-androstane

Systematic Name

  • 1-Piperazineacetamide, N-(3-hydroxyandrostan-17-yl)-4-methyl-, (3-beta,5-alpha,17-beta)-

Registry Numbers

CAS Registry Number

  • 114967-70-3

System Generated Number

  • 0114967703

Structure Descriptors

InChI

1S/C26H45N3O2/c1-25-10-8-19(30)16-18(25)4-5-20-21-6-7-23(26(21,2)11-9-22(20)25)27-24(31)17-29-14-12-28(3)13-15-29/h18-23,30H,4-17H2,1-3H3,(H,27,31)/t18-,19-,20?,21?,22?,23-,25-,26-/m0/s1

InChIKey

QFBNAGXBPHDTHX-CUTQXZKCSA-N

Smiles

C[C@]12CC[C@@H](C[C@@H]1CCC3C2CC[C@]4(C3CC[C@@H]4NC(=O)CN5CCN(CC5)C)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 22, Pg. 207, 1988.