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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H35NO8
Molecular Weight 465.5366
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 1-DEHYDROPENBUTOLOL 2-GLUCURONIDE

SMILES

CC(C)(C)NC=C(COC1=C(C=CC=C1)C2CCCC2)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O

InChI

InChIKey=UPSDNBCAXQUGKP-KHYDEXNFSA-N
InChI=1S/C24H35NO8/c1-24(2,3)25-12-15(32-23-20(28)18(26)19(27)21(33-23)22(29)30)13-31-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-12,14,18-21,23,25-28H,4-5,8-9,13H2,1-3H3,(H,29,30)/t18-,19-,20+,21-,23+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
1-DEHYDROPENBUTOLOL 2-GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 1-((2-CYCLOPENTYLPHENOXY)METHYL)-2-((1,1-DIMETHYLETHYL)AMINO)ETHENYL
Systematic Name English
Code System Code Type Description
FDA UNII
PLE3FG4R6N
Created by admin on Sat Dec 16 10:53:38 GMT 2023 , Edited by admin on Sat Dec 16 10:53:38 GMT 2023
PRIMARY
PUBCHEM
91810605
Created by admin on Sat Dec 16 10:53:38 GMT 2023 , Edited by admin on Sat Dec 16 10:53:38 GMT 2023
PRIMARY
CAS
112829-48-8
Created by admin on Sat Dec 16 10:53:38 GMT 2023 , Edited by admin on Sat Dec 16 10:53:38 GMT 2023
PRIMARY