4-HYDROXYPROPRANOLOL-4-O-SULFATE, (-)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H21NO6S
Molecular Weight	355.406
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-HYDROXYPROPRANOLOL-4-O-SULFATE, (-)-

Structure Search

SMILES

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

InChI

InChIKey=ODCKICSDIPVTRM-LBPRGKRZSA-N

InChI=1S/C16H21NO6S/c1-11(2)17-9-12(18)10-22-15-7-8-16(23-24(19,20)21)14-6-4-3-5-13(14)15/h3-8,11-12,17-18H,9-10H2,1-2H3,(H,19,20,21)/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C16H21NO6S
Molecular Weight	355.406
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:27:50 GMT 2025` Edited by `admin` on `Mon Mar 31 23:27:50 GMT 2025`
Record UNII	732V74P0LS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-HYDROXYPROPRANOLOL-4-O-SULFATE, (-)-

Common Name

English

(-)-4'-HYDROXYPROPRANOL SULFATE

Preferred Name

English

1-NAPHTHALENOL, 4-((2S)-2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)-, 1-(HYDROGEN SULFATE)

Systematic Name

English

(-)-4'-HYDROXYPROPRANOLOL-4-O-SULFATE

Common Name

English

Code System Code Type Description

FDA UNII

732V74P0LS

Created by admin on Mon Mar 31 23:27:50 GMT 2025 , Edited by admin on Mon Mar 31 23:27:50 GMT 2025

PRIMARY

PUBCHEM

40561627

Created by admin on Mon Mar 31 23:27:50 GMT 2025 , Edited by admin on Mon Mar 31 23:27:50 GMT 2025

PRIMARY

EPA CompTox

DTXSID201122817

Created by admin on Mon Mar 31 23:27:50 GMT 2025 , Edited by admin on Mon Mar 31 23:27:50 GMT 2025

PRIMARY

CAS

88547-47-1

Created by admin on Mon Mar 31 23:27:50 GMT 2025 , Edited by admin on Mon Mar 31 23:27:50 GMT 2025

PRIMARY

Related Record Type Details


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4-HYDROXYPROPRANOLOL-4-O-SULFATE

RACEMATE -> ENANTIOMER