vofopitant dihydrochloride (CHEBI:749045)

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CHEBI:749045 - vofopitant dihydrochloride

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ChEBI ID	CHEBI:749045
ChEBI Name	vofopitant dihydrochloride
Stars
Last Modified	29 June 2026
Submitter	ChEMBL
Downloads	Molfile

Formula	HCl.C21H23F3N6O.HCl
Net Charge	0
Average Mass	505.372
Monoisotopic Mass	504.14190
SMILES	COc1ccc(-n2nnnc2C(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1.Cl.Cl
InChI	InChI=1S/C21H23F3N6O.2ClH/c1-31-18-10-9-16(30-20(21(22,23)24)27-28-29-30)12-15(18)13-26-17-8-5-11-25-19(17)14-6-3-2-4-7-14;;/h2-4,6-7,9-10,12,17,19,25-26H,5,8,11,13H2,1H3;2*1H/t17-,19-;;/m0../s1
InChIKey	YVNRXILPJNISEM-FFUVTKDNSA-N

ChEBI Ontology

Outgoing Relation(s)
	vofopitant dihydrochloride (CHEBI:749045) is a piperidines (CHEBI:26151)

Synonyms	Source
GR-205171A	ChEMBL
GR205171A	ChEMBL
Vofopitant dihydrochloride	ChEMBL

Citations