carmegliptin dihydrochloride (CHEBI:751536)

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CHEBI:751536 - carmegliptin dihydrochloride

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ChEBI ID	CHEBI:751536
ChEBI Name	carmegliptin dihydrochloride
Stars
Last Modified	29 June 2026
Submitter	ChEMBL
Downloads	Molfile

Formula	HCl.HCl.C20H28FN3O3
Net Charge	0
Average Mass	450.382
Monoisotopic Mass	449.16483
SMILES	Cl.Cl.[H][C@@]12C[C@H](N)[C@@H](N3C[C@@H](CF)CC3=O)CN1CCc1cc(OC)c(OC)cc12
InChI	InChI=1S/C20H28FN3O3.2ClH/c1-26-18-6-13-3-4-23-11-17(24-10-12(9-21)5-20(24)25)15(22)8-16(23)14(13)7-19(18)27-2;;/h6-7,12,15-17H,3-5,8-11,22H2,1-2H3;2*1H/t12-,15+,16+,17+;;/m1../s1
InChIKey	DDKJYXSAKVWFLS-LSKWAPIISA-N

ChEBI Ontology

Outgoing Relation(s)
	carmegliptin dihydrochloride (CHEBI:751536) is a quinolizines (CHEBI:38063)

Synonyms	Source
Carmegliptin dihydrochloride	ChEMBL
RO-4876904-001	ChEMBL
RO4876904-001	ChEMBL