GLASDEGIB N-OXIDE

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 Search

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 `Sat Dec 16 15:09:35 UTC 2023` Edited by `admin` on `Sat Dec 16 15:09:35 UTC 2023`
Record UNII	MX88GLV6JK
Record Status	`Validated (UNII)`
Record Version

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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 Sat Dec 16 15:09:35 UTC 2023 , Edited by admin on Sat Dec 16 15:09:35 UTC 2023

PRIMARY

PUBCHEM

155884436

Created by admin on Sat Dec 16 15:09:35 UTC 2023 , Edited by admin on Sat Dec 16 15:09:35 UTC 2023

PRIMARY

CAS

2222533-67-5

Created by admin on Sat Dec 16 15:09:35 UTC 2023 , Edited by admin on Sat Dec 16 15:09:35 UTC 2023

PRIMARY

Related Record Type Details


					K673DMO5H9

GLASDEGIB

PARENT -> METABOLITE

Comments:

Glasdegib was the most abundant circulating component in plasma, constituting 69% of plasma radioactivity, with minor circulating metabolites each being <8% of radioactivity.