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

Details

Stereochemistry RACEMIC
Molecular Formula C13H21NO2
Molecular Weight 223.3113
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

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

SMILES

CC1=CC(=CC=C1O)C(O)CNC(C)(C)C

InChI

InChIKey=GELQRPHSNNCPNQ-UHFFFAOYSA-N
InChI=1S/C13H21NO2/c1-9-7-10(5-6-11(9)15)12(16)8-14-13(2,3)4/h5-7,12,14-16H,8H2,1-4H3

HIDE SMILES / InChI
Molecular Formula C13H21NO2
Molecular Weight 223.3113
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Unknown
139594
Substance Class Chemical
Created
by admin
on Sat Dec 16 06:08:05 UTC 2023
Edited
by admin
on Sat Dec 16 06:08:05 UTC 2023
Record UNII
152NRR02YD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
α-[[(1,1-Dimethylethyl)amino]methyl]-4-hydroxy-3-methylbenzenemethanol
Systematic Name English
BENZYL ALCOHOL, .ALPHA.-((TERT-BUTYLAMINO)METHYL)-4-HYDROXY-3-METHYL-
Systematic Name English
ALBUTEROL RELATED COMPOUND A
USP-RS  
Common Name English
ALBUTEROL RELATED COMPOUND A [USP]
Common Name English
(1RS)-2-((1,1-DIMETHYLETHYL)AMINO)-1-(4-HYDROXY-3-METHYLPHENYL)ETHANOL
Systematic Name English
LEVALBUTEROL RELATED COMPOUND B [USP-RS]
Common Name English
.ALPHA.3-DEHYDROXYALBUTEROL
Common Name English
(±)-4-(2-(TERT-BUTYLAMINO)-1-HYDROXYETHYL)-2-METHYLPHENOL
Systematic Name English
LEVALBUTEROL RELATED COMPOUND B [USP IMPURITY]
Common Name English
.ALPHA.(((1,1-DIMETHYLETHYL)AMINO)METHYL)-4-HYDROXY-3-METHYL-BENZENEMETHANOL
Systematic Name English
4-(2-(TERT-BUTYLAMINO)-1-HYDROXYETHYL)-2-METHYLPHENOL
Systematic Name English
SALBUTAMOL SULFATE IMPURITY C [EP IMPURITY]
Common Name English
SALBUTAMOL IMPURITY C [EP IMPURITY]
Common Name English
LEVALBUTEROL RELATED COMPOUND B
USP  
Common Name English
BENZENEMETHANOL, .ALPHA.-(((1,1-DIMETHYLETHYL)AMINO)METHYL)-4-HYDROXY-3-METHYL-
Systematic Name English
Code System Code Type Description
PUBCHEM
57368089
Created by admin on Sat Dec 16 06:08:06 UTC 2023 , Edited by admin on Sat Dec 16 06:08:06 UTC 2023
PRIMARY
FDA UNII
152NRR02YD
Created by admin on Sat Dec 16 06:08:06 UTC 2023 , Edited by admin on Sat Dec 16 06:08:06 UTC 2023
PRIMARY
RS_ITEM_NUM
1358809
Created by admin on Sat Dec 16 06:08:06 UTC 2023 , Edited by admin on Sat Dec 16 06:08:06 UTC 2023
PRIMARY
CAS
18910-68-4
Created by admin on Sat Dec 16 06:08:06 UTC 2023 , Edited by admin on Sat Dec 16 06:08:06 UTC 2023
PRIMARY
Related Record Type Details
Structure of α-[[(1,1-Dimethylethyl)amino]methyl]-4-hydroxy-3-methylbenzenemethanol hemisulfate
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of LEVALBUTEROL HYDROCHLORIDE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Structure of ALBUTEROL SULFATE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of ALBUTEROL
PARENT -> IMPURITY
Structure of ALBUTEROL
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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