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38029-10-6

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Basic Information
CAS No.: 38029-10-6
Name: alpha6-[[(tert-butyl)amino]methyl]-3-hydroxypyridine-2,6-dimethanol dihydrochloride
Molecular Structure:
Molecular Structure of 38029-10-6 (alpha6-[[(tert-butyl)amino]methyl]-3-hydroxypyridine-2,6-dimethanol dihydrochloride)
Formula: C12H20N2O3•2ClH
Molecular Weight: 313.26
Synonyms: 2,6-Pyridinedimethanol, .α.6-[[(1,1-dimethylethyl)amino]methyl]-3-hydroxy-, dihydrochloride;
Melting Point: 182° (dec)
Boiling Point: 489.3oC at 760 mmHg
Flash Point: 249.7oC
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.
PSA: 85.61000
LogP: 1.89390
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Chemistry

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

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.

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.

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 .