General Information of the Compound
Compound ID
CP0065922
Compound Name
4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol
    Show/Hide
Synonyms
(alpha1-((tert-butylamino)methyl)-4-hydroxy-m-xylene-alpha,alpha-diol)
1-(tert-Butylaminomethyl)-4-hydroxy-m-xylene-alpha1,alpha3-diol
2-(tert-Butylamino)-1-(4-hydroxy-3-hydroxymethylphenyl)ethanol
2-t-Butylamino-1-(4-hydroxy-3-hydroxy-3-hydroxymethyl)phenylethanol
4-Hydroxy-3-hydroxymethyl-alpha-((tert-butylamino)methyl)benzyl alcohol
4-[2-(tert-Butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol
4-{2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl}-2-(hydroxymethyl)phenol
AH 3365
Aerolin
Aerolin (TN)
Airomir
Albuterol (USP)
Albuterol Sulphate
Albuterol [USAN]
Albuterol hemisulfate
Almotex
Alpha'-((tert-Butylamino)methyl)-4-hydroxy-m-xylene-alpha,alpha'-diol
Alpha(sup 1)-((tert-Butylamino)methyl)-4-hydroxy-m-xylene-alpha,alpha'-diol
Alpha-[(t-Butylamino)methyl]-4-hydroxy-m-xylene-alpha,alpha-diol
Alpha-[(tert-Butylamino)methyl]-4-hydroxy-m-xylene-alpha,alpha'-diol
Alti-Salbutamol
Anebron
Arubendol-Salbutamol
Asmadil
Asmanil
Asmasal
Asmatol
Asmaven
Asmidon
Asmol
Asmol Uni-Dose
Asthalin
Asthalin (TN)
Asthavent
Broncho-Spray
Broncovaleas
Bronter
Bugonol
Bumol
Butamol
Buto-Asma
Butohaler
Butotal
Butovent
Buventol
Cetsim
Cobutolin
DL-N-tert-Butyl-2-(4-hydroxy-3-hydroxymethylphenyl)-2-hydroxyethylamine
Dilatamol
Dl-Albuterol
Dl-Salbutamol
Ecovent
Farcolin
Gerivent
Grafalin
Libretin
Medolin
Mozal
Novosalmol
Parasma
Pneumolat
ProAi (TN)
Proventil
Proventil (TN)
Proventil HFA
Proventil Inhaler
R,S-Albuterol
Racemic-Salbutamol
Respax
Respolin
Rotahaler
S 8260
Sabutal
Sabutamol
Salamol
Salbetol
Salbron
Salbu-BASF
Salbu-Fatol
Salbuhexal
Salbulin
Salbupur
Salbusian
Salbutalan
Salbutamol
Salbutamol Sulphate
Salbutamol sulfate
Salbutamolum
Salbutamolum [INN-Latin]
Salbutan
Salbutard
Salbutine
Salbutol
Salbuven
Salbuvent
Sallbupp
Salmaplon
Salomol
Salvent
Saventol
Servitamol
Solbutamol
Spreor
Sultanol
Sultanol N
Suprasma
Suxar
Theosal
Tobybron
Vencronyl
Ventalin inhaler
Ventamol
Ventilan
Ventiloboi
Ventodisks
Ventolin (TN)
Ventolin Inhaler
Ventolin Rotacaps
Ventoline
Volare albuterol HFA
Volare easi-breathe
Volma
Volmax
Zaperin
    Show/Hide
Structure
Formula
C13H21NO3
Molecular Weight
239.315
Canonical SMILES
CC(C)(C)NCC(O)c1ccc(O)c(CO)c1
    Show/Hide
InChI
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
    Show/Hide
InChIKey
NDAUXUAQIAJITI-UHFFFAOYSA-N
CAS
18559-94-9
35763-26-9
Physicochemical Property
logP
1.306
Rotatable Bonds
4
Heavy Atom Count
17
Polar Areas
72.72
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
Complexity
17

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 2083
SID: 14749528
ChEMBL ID
CHEMBL714
DrugBank ID
DB01001
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01179, Beta-1 adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 1.53 nM
   TI
   LI
   LO
   TS
Protein ID: PT01494, Beta-2 adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 0.11 nM
   TI
   LI
   LO
   TS
CL000246 NCI-H292 Homo sapiens (Human)  1
1
EC50 = 199.53 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  2
1
IC50 = 980 nM
   TI
   LI
   LO
   TS
2
Ki = 510 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
Kd = 1400 nM
   TI
   LI
   LO
   TS
2
Ki = 1828 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1995.26 nM
Clinical Information about the Compound
Drug 1 ( Salbutamol )
Drug Name Salbutamol
Company GlaxoSmithKline
Indication
Acute asthma
Approved
Target(s)
Adrenergic receptor beta-2 (ADRB2)
Agonist