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Substance Name: Acetamide, N,N-diethyl-2-((11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl)thio)-, (11-beta)-
RN: 114967-91-8
InChIKey: AEPCCILPSNUTKH-FNDRNOHDSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H41-N-O5-S

Molecular Weight

  • 491.6889
 
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Names and Synonyms

Synonyms

  • (11-beta,17-alpha-Dihydroxy-4-pregnene-3,20-dion-21-yl-21-thio)acetic acid diethylamide
  • BRN 3575489
  • N,N-Diethyl-2-((11-beta,17-dihydroxy-3,20-dioxopregn-4-en-21-yl)thio)acetamide

Systematic Name

  • Acetamide, N,N-diethyl-2-((11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl)thio)-, (11-beta)-

Registry Numbers

CAS Registry Number

  • 114967-91-8

System Generated Number

  • 0114967918

Structure Descriptors

InChI

1S/C27H41NO5S/c1-5-28(6-2)23(32)16-34-15-22(31)27(33)12-10-20-19-8-7-17-13-18(29)9-11-25(17,3)24(19)21(30)14-26(20,27)4/h13,19-21,24,30,33H,5-12,14-16H2,1-4H3/t19?,20?,21-,24?,25-,26-,27-/m0/s1

InChIKey

AEPCCILPSNUTKH-FNDRNOHDSA-N

Smiles

CCN(CC)C(=O)CSCC(=O)[C@]1(CCC2[C@@]1(C[C@@H](C3C2CCC4=CC(=O)CC[C@]34C)O)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 708mg/kg (708mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Pharmaceutical Chemistry Journal Vol. 22, Pg. 225, 1988.