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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H28N2O4
Molecular Weight 384.4687
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-DESPIPERIDYL-2-AMINO REPAGLINIDE

SMILES

CCOC1=C(C=CC(CC(=O)N[C@@H](CC(C)C)C2=C(N)C=CC=C2)=C1)C(O)=O

InChI

InChIKey=OSCVKZCOJUTUFD-IBGZPJMESA-N
InChI=1S/C22H28N2O4/c1-4-28-20-12-15(9-10-17(20)22(26)27)13-21(25)24-19(11-14(2)3)16-7-5-6-8-18(16)23/h5-10,12,14,19H,4,11,13,23H2,1-3H3,(H,24,25)(H,26,27)/t19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H28N2O4
Molecular Weight 384.4687
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:59:53 GMT 2023
Edited
by admin
on Sat Dec 16 08:59:53 GMT 2023
Record UNII
Z5LJV2074G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-DESPIPERIDYL-2-AMINO REPAGLINIDE
Common Name English
REPAGLINIDE (M1)
Common Name English
BENZOIC ACID, 4-(2-(((1S)-1-(2-AMINOPHENYL)-3-METHYLBUTYL)AMINO)-2-OXOETHYL)-2-ETHOXY-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20652540
Created by admin on Sat Dec 16 08:59:53 GMT 2023 , Edited by admin on Sat Dec 16 08:59:53 GMT 2023
PRIMARY
CAS
637301-29-2
Created by admin on Sat Dec 16 08:59:53 GMT 2023 , Edited by admin on Sat Dec 16 08:59:53 GMT 2023
PRIMARY
PUBCHEM
29977666
Created by admin on Sat Dec 16 08:59:53 GMT 2023 , Edited by admin on Sat Dec 16 08:59:53 GMT 2023
PRIMARY
FDA UNII
Z5LJV2074G
Created by admin on Sat Dec 16 08:59:53 GMT 2023 , Edited by admin on Sat Dec 16 08:59:53 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
CYP2C8 and 3A4 in vitro
FECAL; PLASMA; URINE