Maropitant

CAS Registry Number®

147116-67-4

CAS Name

Maropitant

Molecular Formula

C32H40N2O

Molecular Mass

468.67

Cite this Page

Maropitant.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=147116-67-4 (retrieved 2024-11-21) (CAS RN: 147116-67-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C32H40N2O/c1-32(2,3)27-15-16-28(35-4)26(21-27)22-33-30-25-17-19-34(20-18-25)31(30)29(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-16,21,25,29-31,33H,17-20,22H2,1-4H3/t30-,31-/m0/s1

InChIKey

InChIKey=OMPCVMLFFSQFIX-CONSDPRKSA-N

SMILES

C([C@H]1[C@@H](NCC2=C(OC)C=CC(C(C)(C)C)=C2)C3CCN1CC3)(C4=CC=CC=C4)C5=CC=CC=C5

Canonical SMILES

O(C1=CC=C(C=C1CNC2C(N3CCC2CC3)C(C=4C=CC=CC4)C=5C=CC=CC5)C(C)(C)C)C

Other Names for this Substance

  • 1-Azabicyclo[2.2.2]octan-3-amine, N-[[5-(1,1-dimethylethyl)-2-methoxyphenyl]methyl]-2-(diphenylmethyl)-, (2S,3S)-
  • 1-Azabicyclo[2.2.2]octan-3-amine, N-[[5-(1,1-dimethylethyl)-2-methoxyphenyl]methyl]-2-(diphenylmethyl)-, (2S-cis)-
  • (2S,3S)-N-[[5-(1,1-Dimethylethyl)-2-methoxyphenyl]methyl]-2-(diphenylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
  • Maropitant
  • (2S,3S)-2-Benzhydryl-N-(5-tert-butyl-2-methoxybenzyl)quinuclidin-3-amine

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Deleted or Replaced CAS Registry Numbers

309924-49-0

CAS INSIGHTSTM
Targeted protein degrader structure, illustration