(2-CHLORO-4-((2-HYDROXY-6-(PROP-2-ENOYLAMINO)QUINAZOLIN-4-YL)AMINO)PHENYL) HYDROGEN SULFATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H13ClN4O6S
Molecular Weight	436.826
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2-CHLORO-4-((2-HYDROXY-6-(PROP-2-ENOYLAMINO)QUINAZOLIN-4-YL)AMINO)PHENYL) HYDROGEN SULFATE

Structure Search

SMILES

OC1=NC(NC2=CC=C(OS(O)(=O)=O)C(Cl)=C2)=C3C=C(NC(=O)C=C)C=CC3=N1

InChI

InChIKey=MUEIYRRRSRIEBO-UHFFFAOYSA-N

InChI=1S/C17H13ClN4O6S/c1-2-15(23)19-9-3-5-13-11(7-9)16(22-17(24)21-13)20-10-4-6-14(12(18)8-10)28-29(25,26)27/h2-8H,1H2,(H,19,23)(H,25,26,27)(H2,20,21,22,24)

HIDE SMILES / InChI

Molecular Formula	C17H13ClN4O6S
Molecular Weight	436.826
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 16:10:43 GMT 2023` Edited by `admin` on `Sat Dec 16 16:10:43 GMT 2023`
Record UNII	H8AZ5GCM5M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(2-CHLORO-4-((2-HYDROXY-6-(PROP-2-ENOYLAMINO)QUINAZOLIN-4-YL)AMINO)PHENYL) HYDROGEN SULFATE

Systematic Name

English

ALLITINIB METABOLITE M8

Common Name

English

Code System Code Type Description

FDA UNII

H8AZ5GCM5M

Created by admin on Sat Dec 16 16:10:43 GMT 2023 , Edited by admin on Sat Dec 16 16:10:43 GMT 2023

PRIMARY

PUBCHEM

156596574

Created by admin on Sat Dec 16 16:10:43 GMT 2023 , Edited by admin on Sat Dec 16 16:10:43 GMT 2023

PRIMARY

Related Record Type Details


					CX0M5RO7CY

ALLITINIB

PARENT -> METABOLITE

Qualification:

URINE