N-DESMETHYL GLASDEGIB

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H20N6O
Molecular Weight	360.4124
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O=C(N[C@@H]1CCN[C@H](C1)C2=NC3=CC=CC=C3N2)NC4=CC=C(C=C4)C#N

InChI

InChIKey=YCKOMQLGYYEBHS-CRAIPNDOSA-N

InChI=1S/C20H20N6O/c21-12-13-5-7-14(8-6-13)23-20(27)24-15-9-10-22-18(11-15)19-25-16-3-1-2-4-17(16)26-19/h1-8,15,18,22H,9-11H2,(H,25,26)(H2,23,24,27)/t15-,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H20N6O
Molecular Weight	360.4124
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 15:03:42 UTC 2023` Edited by `admin` on `Sat Dec 16 15:03:42 UTC 2023`
Record UNII	Q7K42LLA25
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-DESMETHYL GLASDEGIB

Common Name

English

UREA, N-((2R,4R)-2-(1H-BENZIMIDAZOL-2-YL)-4-PIPERIDINYL)-N'-(4-CYANOPHENYL)-

Systematic Name

English

GLASDEGIB METABOLITE M3

Common Name

English

1-((2R,4R)-2-(1H-BENZIMIDAZOL-2-YL)-4-PIPERIDYL)-3-(4-CYANOPHENYL)UREA

Systematic Name

English

Code System Code Type Description

CAS

2222533-66-4

Created by admin on Sat Dec 16 15:03:42 UTC 2023 , Edited by admin on Sat Dec 16 15:03:42 UTC 2023

PRIMARY

FDA UNII

Q7K42LLA25

Created by admin on Sat Dec 16 15:03:42 UTC 2023 , Edited by admin on Sat Dec 16 15:03:42 UTC 2023

PRIMARY

PUBCHEM

155804723

Created by admin on Sat Dec 16 15:03:42 UTC 2023 , Edited by admin on Sat Dec 16 15:03:42 UTC 2023

PRIMARY

PUBCHEM

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.