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Details

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

SHOW SMILES / InChI
Structure of PROPRANOLOL GLUCURONIDE, (-)-

SMILES

CC(C)NC[C@@H](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-QBUJOIIVSA-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

Approval Year

Name Type Language
PROPRANOLOL GLUCURONIDE, (-)-
Common Name English
(1S)-1-(((1-METHYLETHYL)AMINO)METHYL)-2-(1-NAPHTHALENYLOXY)ETHYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
(-)-PROPRANOLOL GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (1S)-1-(((1-METHYLETHYL)AMINO)METHYL)-2-(1-NAPHTHALENYLOXY)ETHYL
Systematic Name English
(2S,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-((2S)-1-NAPHTHALEN-1-YLOXY-3-(PROPAN-2-YLAMINO)PROPAN-2-YL)OXYOXANE-2-CARBOXYLIC ACID
Systematic Name English
(S)-PROPRANOLOL GLUCURONIDE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID901310269
Created by admin on Sat Dec 16 11:01:24 GMT 2023 , Edited by admin on Sat Dec 16 11:01:24 GMT 2023
PRIMARY
FDA UNII
L5J3CW7Z7X
Created by admin on Sat Dec 16 11:01:24 GMT 2023 , Edited by admin on Sat Dec 16 11:01:24 GMT 2023
PRIMARY
CAS
58657-78-6
Created by admin on Sat Dec 16 11:01:24 GMT 2023 , Edited by admin on Sat Dec 16 11:01:24 GMT 2023
PRIMARY
PUBCHEM
14647131
Created by admin on Sat Dec 16 11:01:24 GMT 2023 , Edited by admin on Sat Dec 16 11:01:24 GMT 2023
PRIMARY