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

Details

Stereochemistry RACEMIC
Molecular Formula C12H19NO9S2
Molecular Weight 385.411
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TERBUTALINE 3,5-O-DISULFATE

SMILES

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

InChI

InChIKey=PBGPSFRFTRHBBY-UHFFFAOYSA-N
InChI=1S/C12H19NO9S2/c1-12(2,3)13-7-11(14)8-4-9(21-23(15,16)17)6-10(5-8)22-24(18,19)20/h4-6,11,13-14H,7H2,1-3H3,(H,15,16,17)(H,18,19,20)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
TERBUTALINE 3,5-O-DISULFATE
Common Name English
1,3-BENZENEDIOL, 5-(2-((1,1-DIMETHYLETHYL)AMINO)-1-HYDROXYETHYL)-, 1,3-BIS(HYDROGEN SULFATE)
Systematic Name English
TERBUTALINE 3,5-O-DI(HYDROGEN SULFATE)
Common Name English
Code System Code Type Description
FDA UNII
0N6T3P7EIH
Created by admin on Sat Dec 16 09:09:52 UTC 2023 , Edited by admin on Sat Dec 16 09:09:52 UTC 2023
PRIMARY
PUBCHEM
91810668
Created by admin on Sat Dec 16 09:09:52 UTC 2023 , Edited by admin on Sat Dec 16 09:09:52 UTC 2023
PRIMARY
CAS
1273567-84-2
Created by admin on Sat Dec 16 09:09:52 UTC 2023 , Edited by admin on Sat Dec 16 09:09:52 UTC 2023
PRIMARY
PARENT (METABOLITE)
Structure of TERBUTALINE
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966