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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 ?-[[(1,1-Dimethylethyl)amino]methyl]-4-hydroxy-3-methylbenzenemethanol

SMILES

CC1=C(O)C=CC(=C1)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
149124
Substance Class Chemical
Created
by admin
on Mon Mar 31 21:35:41 GMT 2025
Edited
by admin
on Mon Mar 31 21:35:41 GMT 2025
Record UNII
152NRR02YD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALBUTEROL RELATED COMPOUND A
USP-RS  
Preferred Name English
?-[[(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]
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 Mon Mar 31 21:35:41 GMT 2025 , Edited by admin on Mon Mar 31 21:35:41 GMT 2025
PRIMARY
FDA UNII
152NRR02YD
Created by admin on Mon Mar 31 21:35:41 GMT 2025 , Edited by admin on Mon Mar 31 21:35:41 GMT 2025
PRIMARY
RS_ITEM_NUM
1358809
Created by admin on Mon Mar 31 21:35:41 GMT 2025 , Edited by admin on Mon Mar 31 21:35:41 GMT 2025
PRIMARY
CAS
18910-68-4
Created by admin on Mon Mar 31 21:35:41 GMT 2025 , Edited by admin on Mon Mar 31 21:35:41 GMT 2025
PRIMARY
Related Record Type Details
Structure of ?-[[(1,1-Dimethylethyl)amino]methyl]-4-hydroxy-3-methylbenzenemethanol hemisulfate
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of LEVALBUTEROL HYDROCHLORIDE
PARENT -> IMPURITY
Structure of ALBUTEROL
PARENT -> IMPURITY
Structure of ALBUTEROL SULFATE
PARENT -> IMPURITY
Structure of ALBUTEROL
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
NIH
NCATS
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