Casopitant

CAS

414910-30-8

Catalog Number

ACM414910308

Category

Other Products

Molecular Weight

712.72

Molecular Formula

C₃₁H₃₉F₇N₄O₅S

MSDS COA Spec Sheet

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Specification

Synonyms

Casopitant;Casopitant mesylate

IUPAC Name

(2S,4S)-4-(4-acetylpiperazin-1-yl)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide; methanesulfonic acid

Canonical SMILES

CC1=C(C=CC(=C1)F)C2CC(CCN2C(=O)N(C)C(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CCN(CC4)C(=O)C.CS(=O)(=O)O

InChI Key

YRFKYVWDPCOSTE-KKEFPKGYSA-N

Exact Mass

712.25300

H-Bond Acceptor

H-Bond Donor

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