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Details

Stereochemistry RACEMIC
Molecular Formula C16H21NO6S
Molecular Weight 355.406
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-HYDROXYPROPRANOLOL-4-O-SULFATE

SMILES

CC(C)NCC(O)COC1=C2C=CC=CC2=C(OS(O)(=O)=O)C=C1

InChI

InChIKey=ODCKICSDIPVTRM-UHFFFAOYSA-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)

HIDE SMILES / InChI

Molecular Formula C16H21NO6S
Molecular Weight 355.406
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 16:36:28 UTC 2023
Edited
by admin
on Thu Jul 06 16:36:28 UTC 2023
Record UNII
FRG22A758K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-HYDROXYPROPRANOLOL-4-O-SULFATE
Common Name English
4-HYDROXYPROPRANOLOL SULFATE ESTER
Common Name English
1-NAPHTHALENOL, 4-(2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)-, 1-(HYDROGEN SULFATE)
Systematic Name English
Code System Code Type Description
CAS
87075-33-0
Created by admin on Thu Jul 06 16:36:28 UTC 2023 , Edited by admin on Thu Jul 06 16:36:28 UTC 2023
PRIMARY
PUBCHEM
135862
Created by admin on Thu Jul 06 16:36:28 UTC 2023 , Edited by admin on Thu Jul 06 16:36:28 UTC 2023
PRIMARY
FDA UNII
FRG22A758K
Created by admin on Thu Jul 06 16:36:28 UTC 2023 , Edited by admin on Thu Jul 06 16:36:28 UTC 2023
PRIMARY
EPA CompTox
DTXSID201007316
Created by admin on Thu Jul 06 16:36:28 UTC 2023 , Edited by admin on Thu Jul 06 16:36:28 UTC 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE
Related Record Type Details
PARENT -> METABOLITE
URINE