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Details

Stereochemistry EPIMERIC
Molecular Formula C22H29NO8
Molecular Weight 435.4676
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PROPRANOLOL GLUCURONIDE

SMILES

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

InChI

InChIKey=PCALHJGQCKATMK-PLEVBHNASA-N
InChI=1S/C22H29NO8/c1-12(2)23-10-14(11-29-16-9-5-7-13-6-3-4-8-15(13)16)30-22-19(26)17(24)18(25)20(31-22)21(27)28/h3-9,12,14,17-20,22-26H,10-11H2,1-2H3,(H,27,28)/t14?,17-,18-,19+,20-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H29NO8
Molecular Weight 435.4676
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 16:24:48 UTC 2023
Edited
by admin
on Thu Jul 06 16:24:48 UTC 2023
Record UNII
64CG9RE9H6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PROPRANOLOL GLUCURONIDE
Common Name English
PROPRANOLOL GLUCURONIDE, (±)-
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 1-(((1-METHYLETHYL)AMINO)METHYL)-2-(1-NAPHTHALENYLOXY)ETHYL
Systematic Name English
Code System Code Type Description
PUBCHEM
119515
Created by admin on Thu Jul 06 16:24:48 UTC 2023 , Edited by admin on Thu Jul 06 16:24:48 UTC 2023
PRIMARY
FDA UNII
64CG9RE9H6
Created by admin on Thu Jul 06 16:24:48 UTC 2023 , Edited by admin on Thu Jul 06 16:24:48 UTC 2023
PRIMARY
EPA CompTox
DTXSID30984920
Created by admin on Thu Jul 06 16:24:48 UTC 2023 , Edited by admin on Thu Jul 06 16:24:48 UTC 2023
PRIMARY
CAS
66322-66-5
Created by admin on Thu Jul 06 16:24:48 UTC 2023 , Edited by admin on Thu Jul 06 16:24:48 UTC 2023
PRIMARY
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ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE
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PARENT -> METABOLITE
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