(R,S) SARPOGRELATE O-GLUCURONIDE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C30H39NO12
Molecular Weight	605.6302
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (R,S) SARPOGRELATE O-GLUCURONIDE

Structure Search

SMILES

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

InChI

InChIKey=MWFIILPGCUXGHO-PQBKFTBYSA-N

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

HIDE SMILES / InChI

Molecular Formula	C30H39NO12
Molecular Weight	605.6302
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	5 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 08:59:29 GMT 2025` Edited by `admin` on `Wed Apr 02 08:59:29 GMT 2025`
Record UNII	YEA8HH6R9Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SARPOGRELATE METABOLITE SG1

Preferred Name

English

(R,S) SARPOGRELATE O-GLUCURONIDE

Common Name

English

.BETA.-D-GLUCOPYRANURONIC ACID, 1-(4-(2-(DIMETHYLAMINO)-1-((2-(2-(3-METHOXYPHENYL)ETHYL)PHENOXY)METHYL)ETHYL) BUTANEDIOATE)

Systematic Name

English

Code System Code Type Description

FDA UNII

YEA8HH6R9Y

Created by admin on Wed Apr 02 08:59:29 GMT 2025 , Edited by admin on Wed Apr 02 08:59:29 GMT 2025

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CAS

1588890-70-3

Created by admin on Wed Apr 02 08:59:29 GMT 2025 , Edited by admin on Wed Apr 02 08:59:29 GMT 2025

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PUBCHEM

156028073

Created by admin on Wed Apr 02 08:59:29 GMT 2025 , Edited by admin on Wed Apr 02 08:59:29 GMT 2025

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Related Record Type Details


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SARPOGRELATE

PARENT -> METABOLITE

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