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

Details

Stereochemistry RACEMIC
Molecular Formula C13H21NO3
Molecular Weight 239.3107
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALBUTEROL

SMILES

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

InChI

InChIKey=NDAUXUAQIAJITI-UHFFFAOYSA-N
InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3

HIDE SMILES / InChI
Molecular Formula C13H21NO3
Molecular Weight 239.3107
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:37:47 UTC 2023
Edited
by admin
on Fri Dec 15 16:37:47 UTC 2023
Record UNII
QF8SVZ843E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALBUTEROL
HSDB   MI   ORANGE BOOK   USAN   USP   USP-RS   VANDF  
USAN  
Official Name English
1,3-BENZENEDIMETHANOL, .ALPHA.(SUP 1)-(((1,1-DIMETHYLETHYL)AMINO)METHYL)-4-HYDROXY-
Common Name English
ALBUTEROL [ORANGE BOOK]
Common Name English
ALBUTEROL [HSDB]
Common Name English
SALBUTAMOL [EP IMPURITY]
Common Name English
SALBUTAMOL
EP   INN   MART.   WHO-DD   WHO-IP  
INN  
Official Name English
VENTOLINE
Common Name English
ETINOLINE
Common Name English
salbutamol [INN]
Common Name English
ALBUTEROL [USAN]
Common Name English
ALBUTEROL [USP MONOGRAPH]
Common Name English
ALBUTEROL [USP-RS]
Common Name English
SALBUTAMOL [EP MONOGRAPH]
Common Name English
SALBUTAMOL [WHO-IP]
Common Name English
SCH 13949W
Code English
SALBUTAMOL [MART.]
Common Name English
NSC-757417
Code English
Salbutamol [WHO-DD]
Common Name English
(±)-1,3-BENZENEDIMETHANOL, .ALPHA.(SUP 1)-(((1,1-DIMETHYLETHYL)AMINO)METHYL)-4-HYDROXY-
Common Name English
ALBUTEROL [MI]
Common Name English
ALBUTEROL [VANDF]
Common Name English
SCH-13949W
Code English
SALBUTAMOLUM [WHO-IP LATIN]
Common Name English
Classification Tree Code System Code
LIVERTOX NBK548685
Created by admin on Fri Dec 15 16:37:47 UTC 2023 , Edited by admin on Fri Dec 15 16:37:47 UTC 2023
WHO-ATC R03AK13
Created by admin on Fri Dec 15 16:37:47 UTC 2023 , Edited by admin on Fri Dec 15 16:37:47 UTC 2023
WHO-VATC QR03CC02
Created by admin on Fri Dec 15 16:37:47 UTC 2023 , Edited by admin on Fri Dec 15 16:37:47 UTC 2023
WHO-ATC R03AC02
Created by admin on Fri Dec 15 16:37:47 UTC 2023 , Edited by admin on Fri Dec 15 16:37:47 UTC 2023
NCI_THESAURUS C319
Created by admin on Fri Dec 15 16:37:47 UTC 2023 , Edited by admin on Fri Dec 15 16:37:47 UTC 2023
WHO-VATC QR03AC02
Created by admin on Fri Dec 15 16:37:47 UTC 2023 , Edited by admin on Fri Dec 15 16:37:47 UTC 2023
NDF-RT N0000175779
Created by admin on Fri Dec 15 16:37:47 UTC 2023 , Edited by admin on Fri Dec 15 16:37:47 UTC 2023
WHO-ATC R03AL02
Created by admin on Fri Dec 15 16:37:47 UTC 2023 , Edited by admin on Fri Dec 15 16:37:47 UTC 2023
WHO-ESSENTIAL MEDICINES LIST 25.1
Created by admin on Fri Dec 15 16:37:47 UTC 2023 , Edited by admin on Fri Dec 15 16:37:47 UTC 2023
WHO-VATC QR03AK04
Created by admin on Fri Dec 15 16:37:47 UTC 2023 , Edited by admin on Fri Dec 15 16:37:47 UTC 2023
WHO-VATC QR03AL02
Created by admin on Fri Dec 15 16:37:47 UTC 2023 , Edited by admin on Fri Dec 15 16:37:47 UTC 2023
NCI_THESAURUS C48149
Created by admin on Fri Dec 15 16:37:47 UTC 2023 , Edited by admin on Fri Dec 15 16:37:47 UTC 2023
WHO-ATC R03AK04
Created by admin on Fri Dec 15 16:37:47 UTC 2023 , Edited by admin on Fri Dec 15 16:37:47 UTC 2023
FDA ORPHAN DRUG 152501
Created by admin on Fri Dec 15 16:37:47 UTC 2023 , Edited by admin on Fri Dec 15 16:37:47 UTC 2023
WHO-ATC R03CC02
Created by admin on Fri Dec 15 16:37:47 UTC 2023 , Edited by admin on Fri Dec 15 16:37:47 UTC 2023
NDF-RT N0000009922
Created by admin on Fri Dec 15 16:37:47 UTC 2023 , Edited by admin on Fri Dec 15 16:37:47 UTC 2023
Code System Code Type Description
WHO INTERNATIONAL PHARMACOPEIA
ALBUTEROL
Created by admin on Fri Dec 15 16:37:47 UTC 2023 , Edited by admin on Fri Dec 15 16:37:47 UTC 2023
PRIMARY Description: A white or almost white, crystalline powder; odourless. Solubility: Soluble in 70 parts of water; soluble in ethanol (~750 g/l) TS; slightly soluble in ether R. Category: Antiasthmatic drug. Storage: Salbutamol should be kept in a well-closed container, protected from light. Definition: Salbutamol contains not less than 98.0% and not more than 101.0% of C13H21NO3, calculated with reference to the dried substance.
EVMPD
SUB10422MIG
Created by admin on Fri Dec 15 16:37:47 UTC 2023 , Edited by admin on Fri Dec 15 16:37:47 UTC 2023
PRIMARY
PUBCHEM
2083
Created by admin on Fri Dec 15 16:37:47 UTC 2023 , Edited by admin on Fri Dec 15 16:37:47 UTC 2023
PRIMARY
SMS_ID
100000091629
Created by admin on Fri Dec 15 16:37:47 UTC 2023 , Edited by admin on Fri Dec 15 16:37:47 UTC 2023
PRIMARY
DRUG CENTRAL
105
Created by admin on Fri Dec 15 16:37:47 UTC 2023 , Edited by admin on Fri Dec 15 16:37:47 UTC 2023
PRIMARY
CAS
35763-26-9
Created by admin on Fri Dec 15 16:37:47 UTC 2023 , Edited by admin on Fri Dec 15 16:37:47 UTC 2023
SUPERSEDED
RXCUI
435
Created by admin on Fri Dec 15 16:37:47 UTC 2023 , Edited by admin on Fri Dec 15 16:37:47 UTC 2023
PRIMARY RxNorm
NSC
757417
Created by admin on Fri Dec 15 16:37:47 UTC 2023 , Edited by admin on Fri Dec 15 16:37:47 UTC 2023
PRIMARY
DRUG BANK
DB01001
Created by admin on Fri Dec 15 16:37:47 UTC 2023 , Edited by admin on Fri Dec 15 16:37:47 UTC 2023
PRIMARY
ChEMBL
CHEMBL714
Created by admin on Fri Dec 15 16:37:47 UTC 2023 , Edited by admin on Fri Dec 15 16:37:47 UTC 2023
PRIMARY
FDA UNII
QF8SVZ843E
Created by admin on Fri Dec 15 16:37:47 UTC 2023 , Edited by admin on Fri Dec 15 16:37:47 UTC 2023
PRIMARY
LACTMED
Albuterol
Created by admin on Fri Dec 15 16:37:47 UTC 2023 , Edited by admin on Fri Dec 15 16:37:47 UTC 2023
PRIMARY
HSDB
7206
Created by admin on Fri Dec 15 16:37:47 UTC 2023 , Edited by admin on Fri Dec 15 16:37:47 UTC 2023
PRIMARY
INN
2585
Created by admin on Fri Dec 15 16:37:47 UTC 2023 , Edited by admin on Fri Dec 15 16:37:47 UTC 2023
PRIMARY
RS_ITEM_NUM
1012600
Created by admin on Fri Dec 15 16:37:47 UTC 2023 , Edited by admin on Fri Dec 15 16:37:47 UTC 2023
PRIMARY
CAS
18559-94-9
Created by admin on Fri Dec 15 16:37:47 UTC 2023 , Edited by admin on Fri Dec 15 16:37:47 UTC 2023
PRIMARY
WIKIPEDIA
SALBUTAMOL
Created by admin on Fri Dec 15 16:37:47 UTC 2023 , Edited by admin on Fri Dec 15 16:37:47 UTC 2023
PRIMARY
EPA CompTox
DTXSID5021255
Created by admin on Fri Dec 15 16:37:47 UTC 2023 , Edited by admin on Fri Dec 15 16:37:47 UTC 2023
PRIMARY
ECHA (EC/EINECS)
242-424-0
Created by admin on Fri Dec 15 16:37:47 UTC 2023 , Edited by admin on Fri Dec 15 16:37:47 UTC 2023
PRIMARY
IUPHAR
558
Created by admin on Fri Dec 15 16:37:47 UTC 2023 , Edited by admin on Fri Dec 15 16:37:47 UTC 2023
PRIMARY
CHEBI
2549
Created by admin on Fri Dec 15 16:37:47 UTC 2023 , Edited by admin on Fri Dec 15 16:37:47 UTC 2023
PRIMARY
MESH
D000420
Created by admin on Fri Dec 15 16:37:47 UTC 2023 , Edited by admin on Fri Dec 15 16:37:47 UTC 2023
PRIMARY
MERCK INDEX
m1480
Created by admin on Fri Dec 15 16:37:47 UTC 2023 , Edited by admin on Fri Dec 15 16:37:47 UTC 2023
PRIMARY Merck Index
NCI_THESAURUS
C215
Created by admin on Fri Dec 15 16:37:47 UTC 2023 , Edited by admin on Fri Dec 15 16:37:47 UTC 2023
PRIMARY
DAILYMED
QF8SVZ843E
Created by admin on Fri Dec 15 16:37:47 UTC 2023 , Edited by admin on Fri Dec 15 16:37:47 UTC 2023
PRIMARY
Related Record Type Details
SULFOTRANSFERASE 1A3
METABOLIC ENZYME -> SUBSTRATE
Structure of ALBUTEROL SULFATE
SALT/SOLVATE -> PARENT
Structure of ALBUTEROL ADIPATE DIETHANOLATE
SALT/SOLVATE -> PARENT
Structure of ALBUTEROL
BASIS OF STRENGTH->SUBSTANCE
ASSAY (TITRATION)
EP
Structure of ALBUTEROL HYDROCHLORIDE
SALT/SOLVATE -> PARENT
Structure of LEVALBUTEROL
ACTIVE ENANTIOMER->RACEMATE
BETA-2 ADRENERGIC RECEPTOR
TARGET -> AGONIST
SHORT-ACTING
Structure of albuterol hemisuccinate
SALT/SOLVATE -> PARENT
PLASMA PROTEIN FRACTION (HUMAN)
BINDER->LIGAND
Structure of Albuterol, S-Enantiomer
INACTIVE ENANTIOMER->RACEMATE
Structure of 4-BENZYL ALBUTEROL
PARENT->INNOVATOR
Structure of ALBUTEROL
BASIS OF STRENGTH->SUBSTANCE
ASSAY (TITRATION)
USP
Related Record Type Details
Structure of ALBUTEROL-4-SULFATE, (±)-
METABOLITE -> PARENT
IN-VIVO
URINE
Structure of ALBUTEROL-4-SULFATE, (S)-
METABOLITE INACTIVE -> PARENT
catalysed almost exclusively by sulphotransferase (SULT) 1A3
Structure of LEVALBUTEROL-4-O-SULPHATE
METABOLITE -> PARENT
catalysed almost exclusively by sulphotransferase (SULT) 1A3
MAJOR
PLASMA
Related Record Type Details
Structure of (2-(Benzyloxy)phenyl)methanol
IMPURITY -> PARENT
Structure of 1-(4-(Benzyloxy)phenyl)-2-bromoethanone
IMPURITY -> PARENT
Structure of T-BUTYLNORSYNEPHRINE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of 4-BENZYL ALBUTEROL
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of Methyl 3-acetyl-6-(benzyloxy)-2-hydroxybenzoate
IMPURITY -> PARENT
Structure of Methyl 3-acetyl-2,6-dihydroxybenzoate
IMPURITY -> PARENT
Structure of Methyl 2,3-dihydroxybenzoate
IMPURITY -> PARENT
Structure of 1-[3-(Hydroxymethyl)-4-phenylmethoxyphenyl]ethanol
IMPURITY -> PARENT
Structure of Methyl 2-(benzyloxy)-5-(2-bromoacetyl)benzoate
IMPURITY -> PARENT
Structure of 2-Hydroxy-2-(4-hydroxy-3-(hydroxymethyl)phenyl)acetaldehyde
IMPURITY -> PARENT
Structure of 4-(2-(TERT-BUTYLAMINO)-1-HYDROXYETHYL)-2-(METHOXYMETHYL)PHENOL
IMPURITY -> PARENT
Structure of Methyl 2-(benzyloxy)-5-(2-oxoacetyl)benzoate
IMPURITY -> PARENT
Structure of Methyl 5-(2-(tert-butylamino)-1-hydroxyethyl)-2-hydroxybenzoate
IMPURITY -> PARENT
Structure of Methyl 2,6-dihydroxybenzoate
IMPURITY -> PARENT
Structure of Methyl 2-(benzyloxy)benzoate
IMPURITY -> PARENT
Structure of Methyl 5-acetyl-2-(benzyloxy)benzoate
IMPURITY -> PARENT
Structure of 4-(benzyloxy)-3-(methoxycarbonyl)benzoic acid
IMPURITY -> PARENT
Structure of 4′-(Benzyloxy)-2-bromo-3′-methylacetophenone
IMPURITY -> PARENT
Structure of Methyl 2-(benzyloxy)-5-(tert-butylglycyl)benzoate
IMPURITY -> PARENT
Structure of Methyl 3-acetyl-2-hydroxybenzoate
IMPURITY -> PARENT
Structure of Methyl 5-acetyl-2,3-dihydroxybenzoate
IMPURITY -> PARENT
Structure of METHYL 2,4-DIHYDROXYBENZOATE
IMPURITY -> PARENT
Structure of 1,3-Benzenedimethanol,4-hydroxy-α1-methyl-
IMPURITY -> PARENT
Structure of 4-HYDROXY-3-METHYLACETOPHENONE
IMPURITY -> PARENT
Structure of Benzyl albuterol methyl ester
IMPURITY -> PARENT
Structure of Methyl 5-acetyl-2-(benzyloxy)-4-hydroxybenzoate
IMPURITY -> PARENT
Structure of 2-[(1,1-Dimethylethyl)amino]-1-[3-(hydroxymethyl)-4-(phenylmethoxy)phenyl]ethanone
IMPURITY -> PARENT
Structure of 4-(2-(TERT-BUTYLAMINO)ETHYL)-2-METHYLPHENOL
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of Methyl 5-acetyl-2,4-dihydroxybenzoate
IMPURITY -> PARENT
Structure of 4-(2-(TERT-BUTYLAMINO)-1-METHOXYETHYL)-2-(HYDROXYMETHYL)PHENOL
IMPURITY -> PARENT
Structure of 4'-Benzyloxyacetophenone
IMPURITY -> PARENT
Structure of 5-(2-(tert-butylamino)-1-hydroxyethyl)-2-hydroxybenzoic acid
IMPURITY -> PARENT
Structure of Methyl 5-(2-Bromoacetyl)-2-hydroxybenzoate
IMPURITY -> PARENT
Structure of Methyl salicylate
IMPURITY -> PARENT
Structure of 4-(2-(TERT-BUTYLAMINO)-1-METHOXYETHYL)-2-(METHOXYMETHYL)PHENOL
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of 5-Hydroxy Albuterol
IMPURITY -> PARENT
Structure of N-BENZYLALBUTERONE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of 4-Hydroxy-3-(methoxycarbonyl)benzoic acid
IMPURITY -> PARENT
Structure of 1-(4-(Benzyloxy)-3-methylphenyl)ethan-1-one
IMPURITY -> PARENT
Structure of Albuterol dimer ether
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of 5-(2-(TERT-BUTYLAMINO)-1-HYDROXYETHYL)-2-HYDROXYBENZALDEHYDE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of 1-(4-Hydroxy-3-(hydroxymethyl)phenyl)ethanone
IMPURITY -> PARENT
Structure of 4-benzyloxy-3-hydroxymethylacetophenone
IMPURITY -> PARENT
Structure of 4-(2-(Tert-butylamino)ethyl)-2-(hydroxymethyl)phenol
IMPURITY -> PARENT
Structure of METHYL 5-ACETYLSALICYLATE
IMPURITY -> PARENT
Structure of N-BENZYL ALBUTEROL
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of 4-Hydroxy-3-(hydroxymethyl)-α-oxobenzeneacetaldehyde
IMPURITY -> PARENT
Structure of 4-HYDROXY-3-(HYDROXYMETHYL)BENZALDEHYDE
IMPURITY -> PARENT
Structure of 4-(2-(TERT-BUTYLAMINO)-1-HYDROXYETHYL)-2-(5-(2-(TERT-BUTYLAMINO)-1-HYDROXYETHYL)-2-HYDROXYBENZYL)-6-(HYDROXYMETHYL)PHENOL
IMPURITY -> PARENT
Structure of Albuterone
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of α-[[(1,1-Dimethylethyl)amino]methyl]-4-hydroxy-3-methylbenzenemethanol
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of α-[[(1,1-Dimethylethyl)amino]methyl]-4-(phenylmethoxy)benzenemethanol
IMPURITY -> PARENT
Related Record Type Details
Structure of ALBUTEROL
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Volume of Distribution PHARMACOKINETIC
ORAL BIOAVAILABILITY PHARMACOKINETIC ORAL, EXTENDED-RELEASE TABLET
PHARMACOKINETIC
Tmax PHARMACOKINETIC HYDROFLUOROALKANE (HFA) INHALER
PHARMACOKINETIC
CHLOROFLUOROCARBON INHALER
PHARMACOKINETIC
NEBULIZER
PHARMACOKINETIC
DRY POWDER METERED DOSE INHALER
PHARMACOKINETIC
Biological Half-life PHARMACOKINETIC
Volume of Distribution PHARMACOKINETIC
MAXIMUM TOLERATED DOSE TOXICITY EXTENDED-RELEASE TABLET
PHARMACOKINETIC
Biological Half-life PHARMACOKINETIC ORAL, INHALATION
PHARMACOKINETIC
ORAL, TABLET AND SYRUP
PHARMACOKINETIC
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