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Details

Stereochemistry EPIMERIC
Molecular Formula C21H22N6O2
Molecular Weight 390.4384
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GLASDEGIB N-OXIDE

SMILES

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

InChI

InChIKey=VRZGUODKSBGINI-MQERFVCMSA-N
InChI=1S/C21H22N6O2/c1-27(29)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/h2-9,16,19H,10-12H2,1H3,(H,25,26)(H2,23,24,28)/t16-,19-,27?/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H22N6O2
Molecular Weight 390.4384
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 2 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 20:43:18 UTC 2023
Edited
by admin
on Thu Jul 06 20:43:18 UTC 2023
Record UNII
MX88GLV6JK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GLASDEGIB N-OXIDE
Common Name English
UREA, N-((2R,4R)-2-(1H-BENZIMIDAZOL-2-YL)-1-METHYL-1-OXIDO-4-PIPERIDINYL)-N'-(4-CYANOPHENYL)-
Systematic Name English
GLASDEGIB METABOLITE M4
Common Name English
1-((2R,4R)-2-(1H-BENZIMIDAZOL-2-YL)-1-METHYL-1-OXIDO-PIPERIDIN-1-IUM-4-YL)-3-(4-CYANOPHENYL)UREA
Systematic Name English
Code System Code Type Description
FDA UNII
MX88GLV6JK
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
155884436
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
CAS
2222533-67-5
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.