(2S,3S,4S,5R,6S)-6-(6-AMINO-4-(3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)ANILINO)QUINAZOLIN-2-YL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H24ClFN4O8
Molecular Weight	586.953
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2S,3S,4S,5R,6S)-6-(6-AMINO-4-(3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)ANILINO)QUINAZOLIN-2-YL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Structure Search

SMILES

NC1=CC2=C(NC3=CC=C(OCC4=CC=CC(F)=C4)C(Cl)=C3)N=C(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)N=C2C=C1

InChI

InChIKey=HUQONAHYAJLJAH-YVIDDRJESA-N

InChI=1S/C27H24ClFN4O8/c28-17-10-15(5-7-19(17)39-11-12-2-1-3-13(29)8-12)31-24-16-9-14(30)4-6-18(16)32-27(33-24)41-26-22(36)20(34)21(35)23(40-26)25(37)38/h1-10,20-23,26,34-36H,11,30H2,(H,37,38)(H,31,32,33)/t20-,21-,22+,23-,26-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

(2S,3S,4S,5R,6S)-6-(6-AMINO-4-(3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)ANILINO)QUINAZOLIN-2-YL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Systematic Name

English

ALLITINIB METABOLITE M15-1

Common Name

English

Code System Code Type Description

FDA UNII

WJE8EC89KS

Created by admin on Sat Dec 16 16:32:23 GMT 2023 , Edited by admin on Sat Dec 16 16:32:23 GMT 2023

PRIMARY

PUBCHEM

156613738

Created by admin on Sat Dec 16 16:32:23 GMT 2023 , Edited by admin on Sat Dec 16 16:32:23 GMT 2023

PRIMARY

PARENT (METABOLITE)


					CX0M5RO7CY

ALLITINIB

SUBSTANCE RECORD


					WJE8EC89KS

(2S,3S,4S,5R,6S)-6-(6-AMINO-4-(3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)ANILINO)QUINAZOLIN-2-YL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID