4-(((2R,4R)-2-(1H-BENZIMIDAZOL-2-YL)-1-METHYL-4-PIPERIDYL)CARBAMOYLAMINO)BENZAMIDE

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

Structure Search

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 `Sat Dec 16 15:09:34 GMT 2023` Edited by `admin` on `Sat Dec 16 15:09:34 GMT 2023`
Record UNII	NK3GSZ2UHU
Record Status	`Validated (UNII)`
Record Version

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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 Sat Dec 16 15:09:34 GMT 2023 , Edited by admin on Sat Dec 16 15:09:34 GMT 2023

PRIMARY

PUBCHEM

FDA UNII

NK3GSZ2UHU

Created by admin on Sat Dec 16 15:09:34 GMT 2023 , Edited by admin on Sat Dec 16 15:09:34 GMT 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.