U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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, (+)-

SMILES

CC(C)NC[C@@H](O)COC1=C2C=CC=CC2=C(OS(O)(=O)=O)C=C1

InChI

InChIKey=ODCKICSDIPVTRM-GFCCVEGCSA-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-/m1/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 Sat Dec 16 11:01:25 UTC 2023
Edited
by admin
on Sat Dec 16 11:01:25 UTC 2023
Record UNII
49696X76X5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-HYDROXYPROPRANOLOL-4-O-SULFATE, (+)-
Common Name English
1-NAPHTHALENOL, 4-((2R)-2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)-, 1-(HYDROGEN SULFATE)
Systematic Name English
(+)-4'-HYDROXYPROPRANOL SULFATE
Common Name English
(+)-4'-HYDROXYPROPRANOLOL-4-O-SULFATE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID401122463
Created by admin on Sat Dec 16 11:01:25 UTC 2023 , Edited by admin on Sat Dec 16 11:01:25 UTC 2023
PRIMARY
CAS
88547-48-2
Created by admin on Sat Dec 16 11:01:25 UTC 2023 , Edited by admin on Sat Dec 16 11:01:25 UTC 2023
PRIMARY
PUBCHEM
40561634
Created by admin on Sat Dec 16 11:01:25 UTC 2023 , Edited by admin on Sat Dec 16 11:01:25 UTC 2023
PRIMARY
FDA UNII
49696X76X5
Created by admin on Sat Dec 16 11:01:25 UTC 2023 , Edited by admin on Sat Dec 16 11:01:25 UTC 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER