QUINAZOLINE, 4-((4-FLUORO-2-METHYL-1H-INDOL-5-YL)OXY)-6-METHOXY-7-(3-(1-OXIDO-1-PYRROLIDINYL)PROPOXY)-

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H27FN4O4
Molecular Weight	466.5047
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of QUINAZOLINE, 4-((4-FLUORO-2-METHYL-1H-INDOL-5-YL)OXY)-6-METHOXY-7-(3-(1-OXIDO-1-PYRROLIDINYL)PROPOXY)-

Structure Search

SMILES

COC1=C(OCCC[N+]2([O-])CCCC2)C=C3N=CN=C(OC4=C(F)C5=C(NC(C)=C5)C=C4)C3=C1

InChI

InChIKey=XDIHVMNSCKRYSB-UHFFFAOYSA-N

InChI=1S/C25H27FN4O4/c1-16-12-17-19(29-16)6-7-21(24(17)26)34-25-18-13-22(32-2)23(14-20(18)27-15-28-25)33-11-5-10-30(31)8-3-4-9-30/h6-7,12-15,29H,3-5,8-11H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C25H28FN4O4
Molecular Weight	467.5126
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:54:33 UTC 2023` Edited by `admin` on `Sat Dec 16 16:54:33 UTC 2023`
Record UNII	X2QY7DFS1F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

QUINAZOLINE, 4-((4-FLUORO-2-METHYL-1H-INDOL-5-YL)OXY)-6-METHOXY-7-(3-(1-OXIDO-1-PYRROLIDINYL)PROPOXY)-

Systematic Name

English

CEDIRANIB METABOLITE M4

Common Name

English

Code System Code Type Description

PUBCHEM

154572857

Created by admin on Sat Dec 16 16:54:33 UTC 2023 , Edited by admin on Sat Dec 16 16:54:33 UTC 2023

PRIMARY

FDA UNII

X2QY7DFS1F

Created by admin on Sat Dec 16 16:54:33 UTC 2023 , Edited by admin on Sat Dec 16 16:54:33 UTC 2023

PRIMARY

CAS

1245018-66-9

Created by admin on Sat Dec 16 16:54:33 UTC 2023 , Edited by admin on Sat Dec 16 16:54:33 UTC 2023

PRIMARY

Related Record Type Details


					NQU9IPY4K9

CEDIRANIB

PARENT -> METABOLITE

Comments:

IN VITRO

Interaction Type:

MINOR