EDOXABAN N-GLUCURONIDE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C30H38ClN7O10S
Molecular Weight	724.182
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C([O-])=O)[N+]2(C)CCC3=C(C2)SC(=N3)C(=O)N[C@@H]4C[C@H](CC[C@@H]4NC(=O)C(=O)NC5=NC=C(Cl)C=C5)C(=O)N(C)C

InChI

InChIKey=SGEBYLVLDVGYQI-OWWJRFFKSA-N

InChI=1S/C30H38ClN7O10S/c1-37(2)28(45)13-4-6-15(33-24(42)25(43)36-19-7-5-14(31)11-32-19)17(10-13)34-26(44)27-35-16-8-9-38(3,12-18(16)49-27)29-22(41)20(39)21(40)23(48-29)30(46)47/h5,7,11,13,15,17,20-23,29,39-41H,4,6,8-10,12H2,1-3H3,(H3-,32,33,34,36,42,43,44,46,47)/t13-,15-,17+,20-,21-,22+,23-,29+,38?/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

EDOXABAN N-GLUCURONIDE

Common Name

English

EDOXABAN-M3

Common Name

English

(2S,3S,4S,5R,6R)-6-(2-(((1R,2S,5S)-2-((2-((5-CHLORO-2-PYRIDYL)AMINO)-2-OXO-ACETYL)AMINO)-5-(DIMETHYLCARBAMOYL)CYCLOHEXYL)CARBAMOYL)-5-METHYL-6,7-DIHYDRO-4H-THIAZOLO(5,4-C)PYRIDIN-5-IUM-5-YL)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

118753694

Created by admin on Sat Dec 16 14:14:13 GMT 2023 , Edited by admin on Sat Dec 16 14:14:13 GMT 2023

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FDA UNII

9O1PTP64VA

Created by admin on Sat Dec 16 14:14:13 GMT 2023 , Edited by admin on Sat Dec 16 14:14:13 GMT 2023

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