chempirical

Bambuterol hydrochloride

C18H30ClN3O5CAS 81732-46-9403.90 g/mol

Open in Covalent MOL file
NOOOONOHNHHCl
AlcoholCarbamateSecondary amine

Properties

Molecular formula
C18H30ClN3O5
Molar mass
403.90 g/mol
Exact mass
403.1874 Da
logP
2.65Crippen estimate
Polar surface area
91.3 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
5

Identifiers

CAS number
81732-46-9
SMILES
CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(C(O)CNC(C)(C)C)c1.Cl
InChIKey
LBARATORRVNNQM-UHFFFAOYSA-N
InChI
InChI=1S/C18H29N3O5.ClH/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7;/h8-10,15,19,22H,11H2,1-7H3;1H

Weigh it out

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

Names and synonyms

4 names
  • Carbamic acid, N,N-dimethyl-, 3-[[(dimethylamino)carbonyl]oxy]-5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]phenyl ester, hydrochloride (1:1)
  • Carbamic acid, dimethyl-, 5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-1,3-phenylene ester, monohydrochloride
  • Bambec
  • KWD 2183

Work with Bambuterol hydrochloride

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

Clenbuterol hydrochloride21898-19-147 % similar Terbutaline23031-25-646 % similar Levalbuterol hydrochloride50293-90-842 % similar Terbutaline sulfate23031-32-542 % similar Clenbuterol37148-27-942 % similar Tulobuterol hydrochloride56776-01-341 % similar Dipivefrin hydrochloride64019-93-838 % similar Levalbuterol tartrate661464-94-437 % similar

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

Elsewhere

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