4-HYDROXYPROPRANOLOL GLUCURONIDE, (S)-

Details

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

SHOW SMILES / InChI

Structure of 4-HYDROXYPROPRANOLOL GLUCURONIDE, (S)-

Structure Search

SMILES

CC(C)NC[C@@H](COC1=CC=C(O)C2=CC=CC=C12)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O

InChI

InChIKey=BAKXCGCWLWKBFW-FGRNWQNMSA-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	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:34:43 GMT 2025` Edited by `admin` on `Mon Mar 31 23:34:43 GMT 2025`
Record UNII	23KJZ83PW3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-((4-HYDROXY-1-NAPHTHALENYL)OXY)-1-(((1-METHYLETHYL)AMINO)METHYL)ETHYL, (S)-

Preferred Name

English

4-HYDROXYPROPRANOLOL GLUCURONIDE, (S)-

Common Name

English

Code System Code Type Description

PUBCHEM

14647137

Created by admin on Mon Mar 31 23:34:43 GMT 2025 , Edited by admin on Mon Mar 31 23:34:43 GMT 2025

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CAS

88547-45-9

Created by admin on Mon Mar 31 23:34:43 GMT 2025 , Edited by admin on Mon Mar 31 23:34:43 GMT 2025

PRIMARY

FDA UNII

23KJZ83PW3

Created by admin on Mon Mar 31 23:34:43 GMT 2025 , Edited by admin on Mon Mar 31 23:34:43 GMT 2025

PRIMARY

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4-HYDROXYPROPRANOLOL GLUCURONIDE

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