Sorafenib β-D-Glucuronide

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H24ClF3N4O9
Molecular Weight	640.949
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CNC(=O)C1=CC(OC2=CC=C(NC(=O)N([C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C4=CC=C(Cl)C(=C4)C(F)(F)F)C=C2)=CC=N1

InChI

InChIKey=HALZWBPBJOJUOZ-QMDPOKHVSA-N

InChI=1S/C27H24ClF3N4O9/c1-32-23(39)18-11-15(8-9-33-18)43-14-5-2-12(3-6-14)34-26(42)35(13-4-7-17(28)16(10-13)27(29,30)31)24-21(38)19(36)20(37)22(44-24)25(40)41/h2-11,19-22,24,36-38H,1H3,(H,32,39)(H,34,42)(H,40,41)/t19-,20-,21+,22-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H24ClF3N4O9
Molecular Weight	640.949
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:31:31 GMT 2023` Edited by `admin` on `Sat Dec 16 15:31:31 GMT 2023`
Record UNII	MAH64YSY9K
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Sorafenib β-D-Glucuronide

Common Name

English

Sorafenib b-D-Glucuronide

Systematic Name

English

β-D-Glucopyranuronic acid, 1-[[4-chloro-3-(trifluoromethyl)phenyl][[[4-[[2-[(methylamino)carbonyl]-4-pyridinyl]oxy]phenyl]amino]carbonyl]amino]-1-deoxy-

Systematic Name

English

(2S,3S,4S,5R,6R)-6-[4-chloro-N-[[4-[2-(methylcarbamoyl)pyridin-4-yl]oxyphenyl]carbamoyl]-3-(trifluoromethyl)anilino]-3,4,5-trihydroxyoxane-2-carboxylicacid

Systematic Name

English

1-[[4-Chloro-3-(trifluoromethyl)phenyl][[[4-[[2-[(methylamino)carbonyl]-4-pyridinyl]oxy]phenyl]amino]carbonyl]amino]-1-deoxy-β-D-glucopyranuronic acid

Systematic Name

English

(2R,3S,4S,5S,6R)-6-[[4-chloro-3-(trifluoromethyl)phenyl]-[[4-[2-(methylcarbamoyl)pyridin-4-yl]oxyphenyl]carbamoyl]amino]-3,4,5-trihydroxyoxane-2-carboxylic acid

Systematic Name

English

Code System Code Type Description

FDA UNII

MAH64YSY9K

Created by admin on Sat Dec 16 15:31:31 GMT 2023 , Edited by admin on Sat Dec 16 15:31:31 GMT 2023

PRIMARY

CAS

1130164-93-0

Created by admin on Sat Dec 16 15:31:31 GMT 2023 , Edited by admin on Sat Dec 16 15:31:31 GMT 2023

PRIMARY

PUBCHEM

71752221

Created by admin on Sat Dec 16 15:31:31 GMT 2023 , Edited by admin on Sat Dec 16 15:31:31 GMT 2023

PRIMARY

EPA CompTox

DTXSID70858398

Created by admin on Sat Dec 16 15:31:31 GMT 2023 , Edited by admin on Sat Dec 16 15:31:31 GMT 2023

PRIMARY