chempirical

Terbutaline

C12H19NO3CAS 23031-25-6225.29 g/mol

Open in Covalent MOL file
HNHOOHOH
AlcoholPhenolSecondary amine

Properties

Molecular formula
C12H19NO3
Molar mass
225.29 g/mol
Exact mass
225.1365 Da
Melting point
119–120 °C
logP
1.52Crippen estimate
Polar surface area
72.7 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
3

Identifiers

CAS number
23031-25-6
SMILES
CC(C)(C)NCC(O)c1cc(O)cc(O)c1
InChIKey
XWTYSIMOBUGWOL-UHFFFAOYSA-N
InChI
InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3

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

Names and synonyms

15 names · show all
  • 1,3-Benzenediol, 5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-
  • Benzyl alcohol, α-[(tert-butylamino)methyl]-3,5-dihydroxy-
  • 5-[2-[(1,1-Dimethylethyl)amino]-1-hydroxyethyl]-1,3-benzenediol
  • KWD 2019
  • 1-(3,5-Dihydroxyphenyl)-2-(tert-butylamino)ethanol
  • Brican
  • Bricar
  • Bricaril
  • Bricyn
  • Terbutalin
  • (±)-Terbutaline
  • AR-D 080301
  • AR-DO80301
  • Fasma
  • Aerodur

Work with Terbutaline

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

Similar compounds

Terbutaline sulfate23031-32-578 % similar Metaproterenol586-06-158 % similar Clenbuterol37148-27-957 % similar Salbutamol18559-94-953 % similar Clenbuterol hydrochloride21898-19-153 % similar (-)-Salbutamol34391-04-353 % similar Levalbuterol hydrochloride50293-90-850 % similar (±)-Tulobuterol41570-61-049 % similar

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

Same formula

cis-tert-Butyl 5-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate146231-54-1 N-Boc-hexahydro-5-oxocyclopenta[C]pyrrole148404-28-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook