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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H20N6O
Molecular Weight 372.4231
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-((2R,4S)-2-(1H-BENZIMIDAZOL-2-YL)-1-METHYL-3,4-DIHYDRO-2H-PYRIDIN-4-YL)-3-(4-CYANOPHENYL)UREA

SMILES

CN1C=C[C@H](C[C@@H]1C2=NC3=CC=CC=C3N2)NC(=O)NC4=CC=C(C=C4)C#N

InChI

InChIKey=TYBYEUBYYCLFNN-VQIMIIECSA-N
InChI=1S/C21H20N6O/c1-27-11-10-16(24-21(28)23-15-8-6-14(13-22)7-9-15)12-19(27)20-25-17-4-2-3-5-18(17)26-20/h2-11,16,19H,12H2,1H3,(H,25,26)(H2,23,24,28)/t16-,19-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H20N6O
Molecular Weight 372.4231
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 20:28:29 UTC 2023
Edited
by admin
on Thu Jul 06 20:28:29 UTC 2023
Record UNII
68AY89Y84D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-((2R,4S)-2-(1H-BENZIMIDAZOL-2-YL)-1-METHYL-3,4-DIHYDRO-2H-PYRIDIN-4-YL)-3-(4-CYANOPHENYL)UREA
Systematic Name English
UREA, N-((2R,4S)-2-(1H-BENZIMIDAZOL-2-YL)-1,2,3,4-TETRAHYDRO-1-METHYL-4-PYRIDINYL)-N'-(4-CYANOPHENYL)-
Systematic Name English
GLASDEGIB METABOLITE M2
Common Name English
GLASDEGIB, (DEHYDROGENATION IN THE PIPERIDINE RING)-
Common Name English
Code System Code Type Description
PUBCHEM
155804785
Created by admin on Thu Jul 06 20:28:29 UTC 2023 , Edited by admin on Thu Jul 06 20:28:29 UTC 2023
PRIMARY PUBCHEM
FDA UNII
68AY89Y84D
Created by admin on Thu Jul 06 20:28:29 UTC 2023 , Edited by admin on Thu Jul 06 20:28:29 UTC 2023
PRIMARY
CAS
2222533-65-3
Created by admin on Thu Jul 06 20:28:29 UTC 2023 , Edited by admin on Thu Jul 06 20:28:29 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.