U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H28FN3O3.2ClH
Molecular Weight 450.375
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CARMEGLIPTIN DIHYDROCHLORIDE

SMILES

Cl.Cl.[H][C@@]12C[C@H](N)[C@H](CN1CCC3=CC(OC)=C(OC)C=C23)N4C[C@@H](CF)CC4=O

InChI

InChIKey=DDKJYXSAKVWFLS-LSKWAPIISA-N
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

HIDE SMILES / InChI

Approval Year

Name Type Language
CARMEGLIPTIN DIHYDROCHLORIDE
USAN  
USAN  
Official Name English
RO-4876904-001
Code English
2-PYRROLIDINONE, 1-((2S,3S,11BS)-2-AMINO-1,3,4,6,7,11B-HEXAHYDRO-9,10-DIMETHOXY-2H-BENZO(A)QUINOLIZIN-3-YL)-4-(FLUOROMETHYL)-, DIHYDROCHLORIDE, (4S)-
Common Name English
(4S)-1-[(2S,3S,11bS)-2-Amino-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-3-yl]-4-(fluoromethyl)pyrrolidin-2-one dihydrochloride
Common Name English
2-PYRROLIDINONE, 1-((2S,3S,11BS)-2-AMINO-1,3,4,6,7,11B-HEXAHYDRO-9,10-DIMETHOXY-2H-BENZO(A)QUINOLIZIN-3-YL)-4-(FLUOROMETHYL)-, HYDROCHLORIDE (1:2), (4S)-
Common Name English
CARMEGLIPTIN DIHYDROCHLORIDE [USAN]
Common Name English
RO4876904-001
Code English
Classification Tree Code System Code
NCI_THESAURUS C98086
Created by admin on Fri Dec 15 16:12:51 UTC 2023 , Edited by admin on Fri Dec 15 16:12:51 UTC 2023
Code System Code Type Description
PUBCHEM
25094880
Created by admin on Fri Dec 15 16:12:51 UTC 2023 , Edited by admin on Fri Dec 15 16:12:51 UTC 2023
PRIMARY
CAS
813452-14-1
Created by admin on Fri Dec 15 16:12:51 UTC 2023 , Edited by admin on Fri Dec 15 16:12:51 UTC 2023
PRIMARY
SMS_ID
300000044577
Created by admin on Fri Dec 15 16:12:51 UTC 2023 , Edited by admin on Fri Dec 15 16:12:51 UTC 2023
PRIMARY
NCI_THESAURUS
C81701
Created by admin on Fri Dec 15 16:12:51 UTC 2023 , Edited by admin on Fri Dec 15 16:12:51 UTC 2023
PRIMARY
USAN
UU-94
Created by admin on Fri Dec 15 16:12:51 UTC 2023 , Edited by admin on Fri Dec 15 16:12:51 UTC 2023
PRIMARY
EPA CompTox
DTXSID701001937
Created by admin on Fri Dec 15 16:12:51 UTC 2023 , Edited by admin on Fri Dec 15 16:12:51 UTC 2023
PRIMARY
FDA UNII
LNH977J2SP
Created by admin on Fri Dec 15 16:12:51 UTC 2023 , Edited by admin on Fri Dec 15 16:12:51 UTC 2023
PRIMARY
ChEMBL
CHEMBL591118
Created by admin on Fri Dec 15 16:12:51 UTC 2023 , Edited by admin on Fri Dec 15 16:12:51 UTC 2023
PRIMARY