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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H15NO3.H2O4S
Molecular Weight 307.32
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOPROTERENONE HYDROGEN SULFATE

SMILES

OS(O)(=O)=O.CC(C)NCC(=O)C1=CC=C(O)C(O)=C1

InChI

InChIKey=MFAZYWHKZJBEDE-UHFFFAOYSA-N
InChI=1S/C11H15NO3.H2O4S/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8;1-5(2,3)4/h3-5,7,12-14H,6H2,1-2H3;(H2,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula C11H15NO3
Molecular Weight 209.2417
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula H2O4S
Molecular Weight 98.078
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:14:17 GMT 2025
Edited
by admin
on Tue Apr 01 19:14:17 GMT 2025
Record UNII
Q5F86EVY3Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOPRENALONE HYDROGEN SULFATE
Preferred Name English
ISOPROTERENONE HYDROGEN SULFATE
Common Name English
ACETOPHENONE, 3',4'-DIHYDROXY-2-(ISOPROPYLAMINO)-, SULFATE (SALT) (1:1)
Systematic Name English
ETHANONE, 1-(3,4-DIHYDROXYPHENYL)-2-((1-METHYLETHYL)AMINO)-, SULFATE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
330039
Created by admin on Tue Apr 01 19:14:17 GMT 2025 , Edited by admin on Tue Apr 01 19:14:17 GMT 2025
PRIMARY
CAS
13076-10-3
Created by admin on Tue Apr 01 19:14:17 GMT 2025 , Edited by admin on Tue Apr 01 19:14:17 GMT 2025
PRIMARY
FDA UNII
Q5F86EVY3Y
Created by admin on Tue Apr 01 19:14:17 GMT 2025 , Edited by admin on Tue Apr 01 19:14:17 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE