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Substance Name: Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-((2-methoxyphenyl)acetyl)-, 1-oxide, (1-alpha,4a-beta,7a-beta)-(+-)-
RN: 146862-52-4
InChIKey: PKRRBSVSBHTXKN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H29-N-O3-S

Molecular Weight

  • 459.6071
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 146862-52-4

System Generated Number

  • 0146862524

Structure Descriptors

InChI

1S/C28H29NO3S/c30-24-13-7-12-23(16-24)27(31)29-19-25-26(20-29)33(32)15-14-28(25,17-21-8-3-1-4-9-21)18-22-10-5-2-6-11-22/h1-13,16,25-26,30H,14-15,17-20H2

InChIKey

PKRRBSVSBHTXKN-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CC2(CCS(=O)C3C2CN(C3)C(=O)c4cccc(c4)O)Cc5ccccc5

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,