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rolapitant hydrochloride (anhydrous)

Go to external page http://purl.obolibrary.org/obo/CHEBI_90912

A hydrochloride obtained by combining irinotecan with one molar equivalent of hydrochloric acid. Used (in the form of the hydrate) for the prevention of delayed nausea and vomiting associated with initial and repeat courses of emetogenic cancer chemotherapy.

Term info

Label

rolapitant hydrochloride (anhydrous)

Synonyms
  • (5S,8S)-8-({(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}methyl)-2-oxo-8-phenyl-1,7-diazaspiro[4.5]decan-7-ium chloride
  • (5S,8S)-8-({(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}methyl)-8-phenyl-1,7-diazaspiro[4.5]decan-2-one hydrochloride
database cross reference
Subsets

3_STAR

IUPAC NAME
(5S,8S)-8-({(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}methyl)-8-phenyl-1,7-diazaspiro[4.5]decan-2-one hydrochloride [ IUPAC ]

IUPAC NAME
(5S,8S)-8-({(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}methyl)-2-oxo-8-phenyl-1,7-diazaspiro[4.5]decan-7-ium chloride [ IUPAC ]

charge

0

formula

C25H27ClF6N2O2

has obo namespace

chebi_ontology

has related synonym

SCH619734, rolapitant hydrochloride, rolapitant.HCl, SCH 619734, Rolapitant hydrochloride anhydrous, rolapitant monohydrochloride

id

CHEBI:90912

inchi

InChI=1S/C25H26F6N2O2.ClH/c1-16(17-11-19(24(26,27)28)13-20(12-17)25(29,30)31)35-15-23(18-5-3-2-4-6-18)10-9-22(14-32-23)8-7-21(34)33-22;/h2-6,11-13,16,32H,7-10,14-15H2,1H3,(H,33,34);1H/t16-,22-,23-;/m1./s1

inchikey

VEWAWEMXVUFANV-PVBCUUEWSA-N

mass

536.938

monoisotopicmass

536.16652

smiles

C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)[C@H](OC[C@@]2(NC[C@]3(CC2)CCC(N3)=O)C4=CC=CC=C4)C.Cl