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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H24N6O2
Molecular Weight 392.4543
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(((2R,4R)-2-(1H-BENZIMIDAZOL-2-YL)-1-METHYL-4-PIPERIDYL)CARBAMOYLAMINO)BENZAMIDE

SMILES

CN1CC[C@H](C[C@@H]1C2=NC3=CC=CC=C3N2)NC(=O)NC4=CC=C(C=C4)C(N)=O

InChI

InChIKey=ZELPMBZQLPPOOM-CRAIPNDOSA-N
InChI=1S/C21H24N6O2/c1-27-11-10-15(12-18(27)20-25-16-4-2-3-5-17(16)26-20)24-21(29)23-14-8-6-13(7-9-14)19(22)28/h2-9,15,18H,10-12H2,1H3,(H2,22,28)(H,25,26)(H2,23,24,29)/t15-,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H24N6O2
Molecular Weight 392.4543
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 20:43:17 UTC 2023
Edited
by admin
on Thu Jul 06 20:43:17 UTC 2023
Record UNII
NK3GSZ2UHU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(((2R,4R)-2-(1H-BENZIMIDAZOL-2-YL)-1-METHYL-4-PIPERIDYL)CARBAMOYLAMINO)BENZAMIDE
Systematic Name English
GLASDEGIB METABOLITE M12
Common Name English
Code System Code Type Description
PUBCHEM
155804773
Created by admin on Thu Jul 06 20:43:18 UTC 2023 , Edited by admin on Thu Jul 06 20:43:18 UTC 2023
PRIMARY PUBCHEM
FDA UNII
NK3GSZ2UHU
Created by admin on Thu Jul 06 20:43:18 UTC 2023 , Edited by admin on Thu Jul 06 20:43:18 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Glasdegib was the most abundant circulating component in plasma, constituting 69% of plasma radioactivity, with minor circulating metabolites each being <8% of radioactivity.