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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H27NO8S
Molecular Weight 489.538
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-HYDROXY DULOXETINE .BETA.-D-GLUCURONIDE

SMILES

CNCC[C@H](OC1=CC=CC2=C1C=CC=C2O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C4=CC=CS4

InChI

InChIKey=SBOPOYBTKMMGCV-ANUWOGMRSA-N
InChI=1S/C24H27NO8S/c1-25-11-10-17(18-9-4-12-34-18)31-15-7-2-6-14-13(15)5-3-8-16(14)32-24-21(28)19(26)20(27)22(33-24)23(29)30/h2-9,12,17,19-22,24-28H,10-11H2,1H3,(H,29,30)/t17-,19-,20-,21+,22-,24+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
5-HYDROXY DULOXETINE .BETA.-D-GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 5-((1S)-3-(METHYLAMINO)-1-(2-THIENYL)PROPOXY)-1-NAPHTHALENYL
Systematic Name English
(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-((5-((1S)-3-(METHYLAMINO)-1-(2-THIENYL)PROPOXY)-1-NAPHTHYL)OXY)TETRAHYDROPYRAN-2-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
154584918
Created by admin on Sat Dec 16 13:30:06 GMT 2023 , Edited by admin on Sat Dec 16 13:30:06 GMT 2023
PRIMARY
CAS
1628416-85-2
Created by admin on Sat Dec 16 13:30:06 GMT 2023 , Edited by admin on Sat Dec 16 13:30:06 GMT 2023
PRIMARY
FDA UNII
59622HY2AF
Created by admin on Sat Dec 16 13:30:06 GMT 2023 , Edited by admin on Sat Dec 16 13:30:06 GMT 2023
PRIMARY