chempirical

Salbutamol sulfate

C13H23NO7SCAS 51022-70-9337.39 g/mol

Open in Covalent MOL file
HNHOOHHOOSOHOOH
AlcoholPhenolSecondary amine

Properties

Molecular formula
C13H23NO7S
Molar mass
337.39 g/mol
Exact mass
337.1195 Da
Melting point
186.91 °C
logP
0.65Crippen estimate
Polar surface area
147.3 Ų
H-bond donors / acceptors
6 / 6
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 110 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P270, P272, P280, P301+P317, P302+P352, P318, P321, P330, P333+P317, P362+P364, P405, P501

Identifiers

CAS number
51022-70-9
SMILES
CC(C)(C)NCC(O)c1ccc(O)c(CO)c1.O=S(=O)(O)O
InChIKey
OVICLFZZVQVVFT-UHFFFAOYSA-N
InChI
InChI=1S/C13H21NO3.H2O4S/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15;1-5(2,3)4/h4-6,12,14-17H,7-8H2,1-3H3;(H2,1,2,3,4)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

76 names · show all
  • 1,3-Benzenedimethanol, α1-[[(1,1-dimethylethyl)amino]methyl]-4-hydroxy-, sulfate (2:1)
  • 1,3-Benzenedimethanol, α1-[[(1,1-dimethylethyl)amino]methyl]-4-hydroxy-, sulfate (2:1) (salt)
  • Salbutamol hemisulfate
  • Venetlin
  • Albuterol sulfate
  • Albuterol hemisulfate
  • Dl-Salbutamol sulfate
  • (±)-Salbutamol sulfate
  • Proventil
  • Almotex
  • Airet
  • Asmalin
  • Anebron
  • Asmadil
  • Asmatol
  • Asmaven
  • Asmavent
  • Asmidon
  • Asmol uni-dose
  • Asthalin
  • Broncho-spray
  • Broncovaleas
  • Bronter
  • Bugonol
  • Butamol
  • Buto-asma
  • Butotal
  • Asmanil
  • Asmasal
  • Dilatamol
  • Farcolin
  • Grafalin
  • Instavent
  • Libretin
  • Medolin
  • Mozal
  • Novosalmol
  • Parasma
  • Respax
  • Salbetol
  • Salbron
  • Salbulin
  • Salbusian
  • Salbutalan
  • Salbutan
  • Salbutol
  • Salbuven
  • Salbuvent
  • Salmaplon
  • Salomol
  • Sedalin
  • Suprasma
  • Theosal
  • Tobybron
  • Vencronyl
  • Ventilan
  • Ventimax
  • Ventolin rotacaps
  • Buventol
  • Cobutolin
  • Aerolin
  • Ecovent
  • Ventelin
  • Salbutard
  • Volma
  • Cetsim
  • Salbutine
  • Ventodiscks
  • Loftan
  • Salbumol
  • Sch 13949W sulfate
  • NSC 289928
  • Ventorline CR
  • Salbovent
  • Ventorain
  • Salorain

Work with Salbutamol sulfate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Salbutamol18559-94-9Free base (-)-Salbutamol34391-04-3Free base, defined stereoisomer Levalbuterol hydrochloride50293-90-8Salt, defined stereoisomer Levalbuterol tartrate661464-94-4Salt, defined stereoisomer

Similar compounds

Salbutamol dimer149222-15-170 % similar Terbutaline sulfate23031-32-561 % similar Albuterol methyl ether870076-72-557 % similar Isoproterenol sulfate299-95-653 % similar Alpha1-(((1,1-Dimethylethyl)amino)methyl)-4-(phenylmethoxy)-1,3-benzenedimethanol56796-66-852 % similar Isoproterenol sulfate6700-39-650 % similar α1-[[(1,1-Dimethylethyl)(phenylmethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol24085-03-848 % similar Terbutaline23031-25-645 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook