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Substance Name: Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-((2-(1-pyrrolidinyl)phenyl)acetyl)-, 1-oxide, (1-alpha,4a-alpha,7a-alpha)-(+-)-
RN: 146772-45-4
InChIKey: ZQCPEJBQZJUFHU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H34-N2-O2-S

Molecular Weight

  • 498.6876
 
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Names and Synonyms

  • Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-((2-(1-pyrrolidinyl)phenyl)acetyl)-, 1-oxide, (1-alpha,4a-alpha,7a-alpha)-(+-)-

Registry Numbers

CAS Registry Number

  • 146772-45-4

System Generated Number

  • 0146772454

Structure Descriptors

InChI

1S/C31H34N2O2S/c34-29-17-18-31(24-9-3-1-4-10-24,25-11-5-2-6-12-25)28-22-33(21-27(28)29)36-30(35)23-13-15-26(16-14-23)32-19-7-8-20-32/h1-6,9-16,27-29,34H,7-8,17-22H2

InChIKey

ZQCPEJBQZJUFHU-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C2(CCC(C3C2CN(C3)SC(=O)c4ccc(cc4)N5CCCC5)O)c6ccccc6

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 100mg/kg (100mg/kg)   European Patent Application. Vol. #0514275,
mouse LD subcutaneous > 40mg/kg (40mg/kg)   European Patent Application. Vol. #0514275,