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Details

Stereochemistry EPIMERIC
Molecular Formula C22H29NO9
Molecular Weight 451.467
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-HYDROXYPROPRANOLOL GLUCURONIDE

SMILES

CC(C)NCC(COC1=C2C=CC=CC2=C(O)C=C1)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O

InChI

InChIKey=BAKXCGCWLWKBFW-MBOKBCRSSA-N
InChI=1S/C22H29NO9/c1-11(2)23-9-12(31-22-19(27)17(25)18(26)20(32-22)21(28)29)10-30-16-8-7-15(24)13-5-3-4-6-14(13)16/h3-8,11-12,17-20,22-27H,9-10H2,1-2H3,(H,28,29)/t12?,17-,18-,19+,20-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H29NO9
Molecular Weight 451.467
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 Thu Jul 06 23:37:06 UTC 2023
Edited
by admin
on Thu Jul 06 23:37:06 UTC 2023
Record UNII
VY58B6SD7Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-HYDROXYPROPRANOLOL GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-((4-HYDROXY-1-NAPHTHALENYL)OXY)-1-(((1-METHYLETHYL)AMINO)METHYL)ETHYL
Systematic Name English
Code System Code Type Description
FDA UNII
VY58B6SD7Z
Created by admin on Thu Jul 06 23:37:06 UTC 2023 , Edited by admin on Thu Jul 06 23:37:06 UTC 2023
PRIMARY
CAS
29858-53-5
Created by admin on Thu Jul 06 23:37:06 UTC 2023 , Edited by admin on Thu Jul 06 23:37:06 UTC 2023
PRIMARY
PUBCHEM
185706
Created by admin on Thu Jul 06 23:37:06 UTC 2023 , Edited by admin on Thu Jul 06 23:37:06 UTC 2023
PRIMARY
EPA CompTox
DTXSID80952311
Created by admin on Thu Jul 06 23:37:06 UTC 2023 , Edited by admin on Thu Jul 06 23:37:06 UTC 2023
PRIMARY
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