(R,S) SARPOGRELATE N-GLUCURONIDE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C30H40NO12
Molecular Weight	606.6381
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 6
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure of (R,S) SARPOGRELATE N-GLUCURONIDE

Structure Search

SMILES

COC1=CC(CCC2=CC=CC=C2OCC(C[N+](C)(C)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)OC(=O)CCC(O)=O)=CC=C1

InChI

InChIKey=GWBAGSVEWHMQST-SSZODJSESA-O

InChI=1S/C30H39NO12/c1-31(2,29-27(37)25(35)26(36)28(43-29)30(38)39)16-21(42-24(34)14-13-23(32)33)17-41-22-10-5-4-8-19(22)12-11-18-7-6-9-20(15-18)40-3/h4-10,15,21,25-29,35-37H,11-14,16-17H2,1-3H3,(H-,32,33,38,39)/p+1/t21?,25-,26-,27+,28-,29+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

(R,S) SARPOGRELATE N-GLUCURONIDE

Common Name

English

(2R,3R,4S,5S,6S)-6-CARBOXY-N-(2-((3-CARBOXYPROPANOYL)OXY)-3-(2-(3-METHOXYPHENETHYL)PHENOXY)PROPYL)-3,4,5-TRIHYDROXY-N,N-DIMETHYLTETRAHYDRO-2H-PYRAN-2-AMINIUM

Systematic Name

English

SARPOGRELATE METABOLITE SG2

Common Name

English

Code System Code Type Description

PUBCHEM

165412065

Created by admin on Sat Dec 16 18:02:21 GMT 2023 , Edited by admin on Sat Dec 16 18:02:21 GMT 2023

PRIMARY

FDA UNII

8AR3V6F8MM