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Substance Name: 7,7-Diphenyl-2-(1-imino-2-(2-methoxyphenyl)ethyl)perhydroisoindol-4-one
RN: 135911-02-3
UNII: 49U9M41BGY
InChIKey: VWBOQFANCXZMAU-LOSJGSFVSA-N

Note

  • RP 68651 is the inactive (3aS,7aS)-isomer; substance P antagonist.

Molecular Formula

  • C29-H30-N2-O2

Molecular Weight

  • 438.568
 

Classification Codes

  • Analgesics
  • Central Nervous System Agents
  • Neurokinin-1 Receptor Antagonists
  • Neurotransmitter Agents
  • Peripheral Nervous System Agents
  • Sensory System Agents
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Names and Synonyms

Name of Substance

  • 7,7-Diphenyl-2-(1-imino-2-(2-methoxyphenyl)ethyl)perhydroisoindol-4-one

Synonyms

  • 7,7-Diphenyl-2-(1-imino-2-(2-methoxyphenyl)ethyl)perhydroisoindol-4-one
  • RP-67580
  • UNII-49U9M41BGY

Systematic Names

  • 4H-Isoindol-4-one, octahydro-2-(1-imino-2-(2-methoxyphenyl)ethyl)-7,7-diphenyl-, (3aR,7aR)-
  • 4H-Isoindol-4-one, octahydro-2-(1-imino-2-(2-methoxyphenyl)ethyl)-7,7-diphenyl-, (3aR-cis)-

Registry Numbers

CAS Registry Number

  • 135911-02-3

FDA UNII

  • 49U9M41BGY

System Generated Number

  • 0135911023

Structure Descriptors

InChI

InChI=1S/C29H30N2O2/c1-33-27-15-9-8-10-21(27)18-28(30)31-19-24-25(20-31)29(17-16-26(24)32,22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-15,24-25,30H,16-20H2,1H3/t24-,25+/m0/s1

InChIKey

VWBOQFANCXZMAU-LOSJGSFVSA-N

Smiles

COc1ccccc1CC(=N)N2C[C@H]3[C@@H](C2)C(CCC3=O)(c4ccccc4)c5ccccc5