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Details

Stereochemistry EPIMERIC
Molecular Formula C30H34N2O10
Molecular Weight 582.5984
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CARVEDILOL GLUCURONIDE

SMILES

COC1=CC=CC=C1OCCNCC(COC2=C3C(NC4=CC=CC=C34)=CC=C2)O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O

InChI

InChIKey=PUVQFGCELBOSRN-VKTJNCFWSA-N
InChI=1S/C30H34N2O10/c1-38-21-10-4-5-11-22(21)39-14-13-31-15-17(41-30-27(35)25(33)26(34)28(42-30)29(36)37)16-40-23-12-6-9-20-24(23)18-7-2-3-8-19(18)32-20/h2-12,17,25-28,30-35H,13-16H2,1H3,(H,36,37)/t17?,25-,26-,27+,28-,30+/m0/s1

HIDE SMILES / InChI

Molecular Formula C30H34N2O10
Molecular Weight 582.5984
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry
Defined Stereocenters 5 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Mar 06 11:48:17 UTC 2018
Edited
by admin
on Tue Mar 06 11:48:17 UTC 2018
Record UNII
X2494I96FS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CARVEDILOL GLUCURONIDE
Common Name English
CARVEDILOL GLUCURONIDE, (+/-)-
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-(9H-CARBAZOL-4-YLOXY)-1-(((2-(2-METHOXYPHENOXY)ETHYL)AMINO)METHYL)ETHYL
Systematic Name English
Code System Code Type Description
EPA CompTox
114869-83-9
Created by admin on Tue Mar 06 11:48:17 UTC 2018 , Edited by admin on Tue Mar 06 11:48:17 UTC 2018
PRIMARY
PUBCHEM
49849580
Created by admin on Tue Mar 06 11:48:17 UTC 2018 , Edited by admin on Tue Mar 06 11:48:17 UTC 2018
PRIMARY SWITZERF
CAS
114869-83-9
Created by admin on Tue Mar 06 11:48:17 UTC 2018 , Edited by admin on Tue Mar 06 11:48:17 UTC 2018
PRIMARY
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