(2R)-2-AMINO-3-(3-((4-(3-CHLORO-4-HYDROXY-ANILINO)QUINAZOLIN-6-YL)AMINO)-3-OXO-PROPYL)SULFANYL-PROPANOIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H20ClN5O4S
Molecular Weight	461.922
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2R)-2-AMINO-3-(3-((4-(3-CHLORO-4-HYDROXY-ANILINO)QUINAZOLIN-6-YL)AMINO)-3-OXO-PROPYL)SULFANYL-PROPANOIC ACID

Structure Search

SMILES

N[C@@H](CSCCC(=O)NC1=CC2=C(NC3=CC=C(O)C(Cl)=C3)N=CN=C2C=C1)C(O)=O

InChI

InChIKey=WMIUYRHCGPPOKG-HNNXBMFYSA-N

InChI=1S/C20H20ClN5O4S/c21-14-8-12(2-4-17(14)27)26-19-13-7-11(1-3-16(13)23-10-24-19)25-18(28)5-6-31-9-15(22)20(29)30/h1-4,7-8,10,15,27H,5-6,9,22H2,(H,25,28)(H,29,30)(H,23,24,26)/t15-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H20ClN5O4S
Molecular Weight	461.922
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:07:49 GMT 2023` Edited by `admin` on `Sat Dec 16 16:07:49 GMT 2023`
Record UNII	UF6KTP3JSV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(2R)-2-AMINO-3-(3-((4-(3-CHLORO-4-HYDROXY-ANILINO)QUINAZOLIN-6-YL)AMINO)-3-OXO-PROPYL)SULFANYL-PROPANOIC ACID

Systematic Name

English

ALLITINIB METABOLITE M9

Common Name

English

Code System Code Type Description

FDA UNII

UF6KTP3JSV

Created by admin on Sat Dec 16 16:07:49 GMT 2023 , Edited by admin on Sat Dec 16 16:07:49 GMT 2023

PRIMARY

PUBCHEM

155929095

Created by admin on Sat Dec 16 16:07:49 GMT 2023 , Edited by admin on Sat Dec 16 16:07:49 GMT 2023

PRIMARY

Related Record Type Details


					CX0M5RO7CY

ALLITINIB

PARENT -> METABOLITE

Qualification:

FECAL; URINE