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| CAS No.: | 81732-65-2 |
|---|---|
| Name: | Bambuterol |
| Molecular Structure: | |
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| Formula: | C18H29N3O5 |
| Molecular Weight: | 367.45 |
| Synonyms: | Carbamicacid, dimethyl-, 5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-1,3-phenyleneester (9CI);Bambudil;Carbamic acid,N,N-dimethyl-,C,C'-[5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-1,3-phenylene] ester;Terbutaline bisdimethylcarbamate; |
| EINECS: | 1533716-785-6 |
| Density: | 1.154 g/cm3 |
| Boiling Point: | 500.9 °C at 760 mmHg |
| Flash Point: | 256.7 °C |
| Solubility: | water: ~33 mg/mL |
| Appearance: | off-white powder |
| PSA: | 91.34000 |
| LogP: | 2.61980 |
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Chemistry
Structure of Bambuterol (CAS NO.81732-65-2):
IUPAC Name: [3-[2-(Tert-butylamino)-1-hydroxyethyl]-5-(dimethylcarbamoyloxy)phenyl]N,N-dimethylcarbamate
Molecular Formula: C18H29N3O5
Molar mass: 367.44 g/mol
Density: 1.154 g/cm3
Flash Point: 256.7 °C
Index of Refraction: 1.533
Boiling Point: 500.9 °C at 760 mmHg
Vapour Pressure: 7.49E-11 mmHg at 25 °C
Water Solubility: ~33 mg/mL, soluble
XLogP3-AA: 1.2
H-Bond Donor: 2
H-Bond Acceptor: 6
Canonical SMILES: CC(C)(C)NCC(C1=CC(=CC(=C1)OC(=O)N(C)C)OC(=O)N(C)C)O
InChI: InChI=1S/C18H29N3O5/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
InChIKey: ANZXOIAKUNOVQU-UHFFFAOYSA-N
Classification Code: Anti-Asthmatic Agents; Autonomic Agents; Bronchodilator agents; Peripheral Nervous System Agents;
Respiratory System Agents
Uses
Bambuterol (CAS NO.81732-65-2) is a long acting beta-adrenoceptor agonist used in the treatment of asthma.And it is a prodrug of terbutaline.
Toxicity Data With Reference
| 1. | ipr-mus LDLo:0.3 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics, 293 (2000),896. |
Safety Profile
WGK Germany: 3
A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx.
Specification
Bambuterol (CAS NO.81732-65-2) also can be called Bambec ; 1-[Bis(3',5'-N,N-dimethylcarbamoyloxy)phenyl]-2-N-tert-butylaminoethanol ; Terbutaline Bisdimethylcarbamate ; (±)-5-[2-(tert-Butylamino)-1-hydroxyethyl]-m-phenylene Bis(dimethylcarbamate) ;and Dimethylcarbamic Acid 5-[2-[(1,1-Dimethylethyl)amino]-1-hydroxyethyl]-1,3-phenylene Ester . Bambuterol (CAS NO.81732-65-2) is off-white powder. It is marketed by AstraZeneca under the trade names Bambec and Oxeol .