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| CAS No.: | 81732-46-9 |
|---|---|
| Name: | Bambuterol hydrochloride |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C18H30ClN3O5 |
| Molecular Weight: | 403.906 |
| Synonyms: | Carbamicacid, dimethyl-, 5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-1,3-phenyleneester, monohydrochloride (9CI);Bambec;KWD 2183;Carbamic acid,N,N-dimethyl-,3-[[(dimethylamino)carbonyl]oxy]-5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]phenylester, hydrochloride (1:1); |
| EINECS: | 643-060-9 |
| Density: | 1.154g/cm3 |
| Melting Point: | 222-224 °C |
| Boiling Point: | 500.9 °C at 760 mmHg |
| Flash Point: | 256.7 °C |
| Solubility: | soluble in water |
| Appearance: | white solid |
| Safety: | 24/25 |
| PSA: | 91.34000 |
| LogP: | 3.42180 |
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Chemistry
Structure of Bambuterol hydrochloride (CAS NO.81732-46-9):
IUPAC Name: [3-[2-(tert-Butylamino)-1-hydroxyethyl]-5-(dimethylcarbamoyloxy)phenyl]N,N-dimethylcarbamate hydrochloride
Molecular Weight: 403.9009 g/mol
Molecular Formula: C18H30ClN3O5
Flash Point: 256.7 °C
Enthalpy of Vaporization: 81.04 kJ/mol
Boiling Point: 500.9 °C at 760 mmHg
Vapour Pressure: 7.49E-11 mmHg at 25 °C
H-Bond Donor: 3
H-Bond Acceptor: 6
Rotatable Bond Count: 8
Exact Mass: 403.187399
MonoIsotopic Mass: 403.187399
Topological Polar Surface Area: 91.3
Heavy Atom Count: 27
Canonical SMILES: CC(C)(C)NCC(C1=CC(=CC(=C1)OC(=O)N(C)C)OC(=O)N(C)C)O.Cl
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
InChIKey: LBARATORRVNNQM-UHFFFAOYSA-N
Product Categories: Active Pharmaceutical Ingredients; Intermediates & Fine Chemicals; Pharmaceuticals; Bambuterol
Uses
Bambuterol hydrochloride (CAS NO.81732-46-9) can be used for active pharmaceutical ingredients and could produce ester prodrug of the -adrenergic agonist terbutaline.
Safety Profile
WGK Germany: 3
Specification
Bambuterol hydrochloride (CAS NO.81732-46-9) is also named as Carbamic acid, dimethyl-, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-1,3-phenylene ester, monohydrochloride ; Carbamic acid,N,N-dimethyl-,3-[[(dimethylamino)carbonyl]oxy]-5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]phenylester, hydrochloride (1:1) . Bambuterol hydrochloride (CAS NO.81732-46-9) is white solid.