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| Name |
Pirbuterol hydrochloride |
EINECS | N/A |
| CAS No. | 38029-10-6 | Density | N/A |
| PSA | 85.61000 | LogP | 1.89390 |
| Solubility | N/A | Melting Point |
182° (dec) |
| Formula | C12H20N2O3•2ClH | Boiling Point | 489.3oC at 760 mmHg |
| Molecular Weight | 313.26 | Flash Point | 249.7oC |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by subcutaneous and intravenous routes. Moderately toxic by ingestion. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits NOx and HCl. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2,6-Pyridinedimethanol, .α.6-[[(1,1-dimethylethyl)amino]methyl]-3-hydroxy-, dihydrochloride; |
Pirbuterol hydrochloride Chemical Properties
Product Name: Pirbuterol hydrochloride (CAS NO.38029-10-6)
Molecular Formula: C12H22Cl2N2O3
Molecular Weight: 313.22068g/mol
Mol File: 38029-10-6.mol
Einecs: 253-751-3
Boiling point: 489.3 °C at 760 mmHg
Flash Point: 249.7 °C
Enthalpy of Vaporization: 79.59 kJ/mol
Vapour Pressure: 2.17E-10 mmHg at 25°C
H-Bond Donor: 6
H-Bond Acceptor: 5
Structure Descriptors of Pirbuterol hydrochloride (CAS NO.38029-10-6):
IUPAC Name: 6-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)pyridin-3-oldihydrochloride
Canonical SMILES: CC(C)(C)NCC(C1=NC(=C(C=C1)O)CO)O.Cl.Cl
InChI: InChI=1S/C12H20N2O3.2ClH/c1-12(2,3)13-6-11(17)8-4-5-10(16)9(7-15)14-8;;/h4-5,11,13,15-17H,6-7H2,1-3H3;2*1H
InChIKey: XIDFCZTVVCWBGN-UHFFFAOYSA-N
Pirbuterol hydrochloride Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 42mg/kg (42mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 13, Pg. 637, 1982. | |
| mouse | LD50 | oral | 2gm/kg (2000mg/kg) | Medicamentos de Actualidad. Vol. 19, Pg. 382, 1983. | |
| mouse | LD50 | subcutaneous | 280mg/kg (280mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 13, Pg. 637, 1982. | |
| rat | LD50 | intravenous | 53mg/kg (53mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 13, Pg. 637, 1982. | |
| rat | LD50 | oral | 2gm/kg (2000mg/kg) | Medicamentos de Actualidad. Vol. 19, Pg. 382, 1983. | |
| rat | LD50 | subcutaneous | 645mg/kg (645mg/kg) | Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 8, Pg. 689, 1980. |
Pirbuterol hydrochloride Safety Profile
Poison by subcutaneous and intravenous routes. Moderately toxic by ingestion. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits NOx and HCl.
Pirbuterol hydrochloride Specification
Pirbuterol hydrochloride ,its CAS NO. is 38029-10-6,the synonyms is 2,6-Pyridinedimethanol, alpha(sup 6)-(((1,1-dimethylethyl)amino)methyl)-3-hydroxy-, dihydrochloride ; 2-Hydroxymethyl-3-hydroxy-6-(1-hydroxy-2-tert-butylaminoethyl)pyridine dihydrochloride ; 6-(2-(tert-Butylamino)-1-hydroxyethyl)-3-hydroxy-2-pyridinemethanol dihydrochloride ; CP-24314-1 ; EINECS 253-751-3 ; Exirel ; NSC 355078 ; Pirbuterol HCl ; Pirbuterol clorhidrato ; Pyrbuterol hyrochloride ; UNII-J6793T658K ; alpha(sup 6)((tert-Butylamino)methyl)-3-hydroxy-2,6-pyridinedimethanol dihydrochloride .
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