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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

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 Sat Dec 16 17:19:48 UTC 2023
Edited
by admin
on Sat Dec 16 17:19:48 UTC 2023
Record UNII
YEA8HH6R9Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(R,S) SARPOGRELATE O-GLUCURONIDE
Common Name English
SARPOGRELATE METABOLITE SG1
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 Sat Dec 16 17:19:48 UTC 2023 , Edited by admin on Sat Dec 16 17:19:48 UTC 2023
PRIMARY
CAS
1588890-70-3
Created by admin on Sat Dec 16 17:19:48 UTC 2023 , Edited by admin on Sat Dec 16 17:19:48 UTC 2023
PRIMARY
PUBCHEM
156028073
Created by admin on Sat Dec 16 17:19:48 UTC 2023 , Edited by admin on Sat Dec 16 17:19:48 UTC 2023
PRIMARY
Related Record Type Details
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