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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 1,3-O-DISULFATE

SMILES

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

InChI

InChIKey=NFFAEEIZKGMECZ-UHFFFAOYSA-N
InChI=1S/C12H19NO9S2/c1-12(2,3)13-7-11(22-24(18,19)20)8-4-9(14)6-10(5-8)21-23(15,16)17/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 1,3-O-DISULFATE
Common Name English
1,3-BENZENEDIOL, 5-(2-((1,1-DIMETHYLETHYL)AMINO)-1-(SULFOOXY)ETHYL)-, 1-(HYDROGEN SULFATE)
Systematic Name English
3-(2-(TERT-BUTYLAMINO)-1-(SULFOOXY)ETHYL)-5-HYDROXYPHENYL HYDROGEN SULFATE
Systematic Name English
Code System Code Type Description
FDA UNII
95AUP7K3XY
Created by admin on Sat Dec 16 09:12:52 GMT 2023 , Edited by admin on Sat Dec 16 09:12:52 GMT 2023
PRIMARY
CAS
1273567-80-8
Created by admin on Sat Dec 16 09:12:52 GMT 2023 , Edited by admin on Sat Dec 16 09:12:52 GMT 2023
PRIMARY
PUBCHEM
91810666
Created by admin on Sat Dec 16 09:12:52 GMT 2023 , Edited by admin on Sat Dec 16 09:12:52 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of TERBUTALINE
NIH
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