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Details

Stereochemistry MIXED
Molecular Formula 2C13H21NO2.H2O4S
Molecular Weight 544.701
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of α-[[(1,1-Dimethylethyl)amino]methyl]-4-hydroxy-3-methylbenzenemethanol hemisulfate

SMILES

OS(O)(=O)=O.CC1=CC(=CC=C1O)C(O)CNC(C)(C)C.CC2=CC(=CC=C2O)C(O)CNC(C)(C)C

InChI

InChIKey=JJAOBLMGZKBLSL-UHFFFAOYSA-N
InChI=1S/2C13H21NO2.H2O4S/c2*1-9-7-10(5-6-11(9)15)12(16)8-14-13(2,3)4;1-5(2,3)4/h2*5-7,12,14-16H,8H2,1-4H3;(H2,1,2,3,4)

HIDE SMILES / InChI

Approval Year

Name Type Language
α-[[(1,1-Dimethylethyl)amino]methyl]-4-hydroxy-3-methylbenzenemethanol hemisulfate
Systematic Name English
Albuterol Related Compound A [USP-RS]
Common Name English
4-(2-(tert-Butylamino)-1-hydroxyethyl)-2-methylphenol sulfate (2:1)
Systematic Name English
Benzenemethanol, α-[[(1,1-dimethylethyl)amino]methyl]-4-hydroxy-3-methyl-, sulfate (2:1)
Systematic Name English
Code System Code Type Description
CAS
2044704-57-4
Created by admin on Sat Dec 16 19:17:57 GMT 2023 , Edited by admin on Sat Dec 16 19:17:57 GMT 2023
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PUBCHEM
127256212
Created by admin on Sat Dec 16 19:17:57 GMT 2023 , Edited by admin on Sat Dec 16 19:17:57 GMT 2023
PRIMARY
RS_ITEM_NUM
1012644
Created by admin on Sat Dec 16 19:17:57 GMT 2023 , Edited by admin on Sat Dec 16 19:17:57 GMT 2023
PRIMARY
FDA UNII
6LD3HMU66G
Created by admin on Sat Dec 16 19:17:57 GMT 2023 , Edited by admin on Sat Dec 16 19:17:57 GMT 2023
PRIMARY