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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H35NO9
Molecular Weight 505.5574
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-D-GLUCOPYRANOSIDURONIC ACID, (1S)-2-(DIMETHYLAMINO)-1-((2-(2-(3-METHOXYPHENYL)ETHYL)PHENOXY)METHYL)ETHYL

SMILES

[H][C@@]3(O[C@H](COC1=CC=CC=C1CCC2=CC=CC(OC)=C2)CN(C)C)O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O

InChI

InChIKey=VZXUKTLILWYUGF-JBWRIQTRSA-N
InChI=1S/C26H35NO9/c1-27(2)14-19(35-26-23(30)21(28)22(29)24(36-26)25(31)32)15-34-20-10-5-4-8-17(20)12-11-16-7-6-9-18(13-16)33-3/h4-10,13,19,21-24,26,28-30H,11-12,14-15H2,1-3H3,(H,31,32)/t19-,21-,22-,23+,24-,26+/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H35NO9
Molecular Weight 505.5574
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:55:39 UTC 2023
Edited
by admin
on Sat Dec 16 17:55:39 UTC 2023
Record UNII
R5EK2W32QN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (1S)-2-(DIMETHYLAMINO)-1-((2-(2-(3-METHOXYPHENYL)ETHYL)PHENOXY)METHYL)ETHYL
Systematic Name English
SARPOGRELATE METABOLITE SMG3
Common Name English
(S) SARPOGRELATE METABOLITE M-1 O-GLUCURONIDE
Common Name English
(1S)-2-(DIMETHYLAMINO)-1-((2-(2-(3-METHOXYPHENYL)ETHYL)PHENOXY)METHYL)ETHYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
R5EK2W32QN
Created by admin on Sat Dec 16 17:55:39 UTC 2023 , Edited by admin on Sat Dec 16 17:55:39 UTC 2023
PRIMARY
CAS
1588890-75-8
Created by admin on Sat Dec 16 17:55:39 UTC 2023 , Edited by admin on Sat Dec 16 17:55:39 UTC 2023
PRIMARY
PUBCHEM
155929052
Created by admin on Sat Dec 16 17:55:39 UTC 2023 , Edited by admin on Sat Dec 16 17:55:39 UTC 2023
PRIMARY
Related Record Type Details
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