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1215-83-4

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Basic Information
CAS No.: 1215-83-4
Name: p-chloro-alpha-[2-(dimethylamino)-1-methylethyl]-alpha-methylphenethyl alcohol hydrochloride
Molecular Structure:
Molecular Structure of 1215-83-4 (p-chloro-alpha-[2-(dimethylamino)-1-methylethyl]-alpha-methylphenethyl alcohol hydrochloride)
Formula: C14H22 Cl N O . Cl H
Molecular Weight: 292.28
Synonyms: Benzeneethanol,4-chloro-a-[2-(dimethylamino)-1-methylethyl]-a-methyl-, hydrochloride (9CI);Phenethyl alcohol, p-chloro-a-[2-(dimethylamino)-1-methylethyl]-a-methyl-, hydrochloride (7CI,8CI); Biotertussin;Clobutinol hydrochloride; KAT 256; Silom; Silomat; Silonist
EINECS: 214-931-7
Density: 1.072g/cm3
Melting Point: 169-170°
Boiling Point: 356.8 °C at 760 mmHg
Flash Point: 169.6 °C
Safety: Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. An antitussive. When heated to decomposition it emits toxic fumes of Cl− and NOx. See also ALCOHOL, DENATURED; ALCOHOLS, C6-12; ALCOHOLS, C9-11; ALCOHOLS, C12-13, ETHOXYLATED; ALCOHOLS, C12-15, ETHOXYLATED; ALCOHOLS, C12-16, ETHOXYLATED; ALCOHOLS, C14-15, ETHOXYLATED; ALCOHOLS, C16-18, ETHOXYLATED; ALCOHOLS, C8-10, ETHOXYLATED PROPOXYLATED; ALCOHOLS, C12-15, ETHOXYLATED PROPOXYLATED; ALCOHOLS, N.O.S..
PSA: 23.47000
LogP: 3.63320
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Chemistry

Molecular Structure of Clobutinol hydrochloride (CAS NO. 1215-83-4):

EINECS: 214-931-7
IUPAC Name: 1-(4-Chlorophenyl)-4-(dimethylamino)-2,3-dimethylbutan-2-ol hydrochloride 
Molecular Formula: C14H23Cl2NO
Molecular Weight: 292.244520 g/mol
H-Bond Donor: 2
H-Bond Acceptor: 2
Canonical SMILES: CC(CN(C)C)C(C)(CC1=CC=C(C=C1)Cl)O.Cl
InChI: InChI=1S/C14H22ClNO.ClH/c1-11(10-16(3)4)14(2,17)9-12-5-7-13(15)8-6-12;/h5-8,11,17H,9-10H2,1-4H3;1H
InChIKey: ZMROYCGIWPNZNJ-UHFFFAOYSA-N
Flash Point: 169.6 °C
Enthalpy of Vaporization: 63.54 kJ/mol
Boiling Point: 356.8 °C at 760 mmHg
Vapour Pressure of Clobutinol hydrochloride (CAS NO. 1215-83-4): 1.04E-05 mmHg at 25 °C

Toxicity Data With Reference

1.    

orl-rat LD50:802 mg/kg

     NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),241.
2.    

ipr-rat LD50:151 mg/kg

     NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),241.
3.    

scu-rat LD50:702 mg/kg

     NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),241.
4.    

ivn-rat LD50:63 mg/kg

     NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),241.
5.    

orl-mus LD50:334 mg/kg

     NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),241.
6.    

ipr-mus LD50:125 mg/kg

     NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),241.
7.    

scu-mus LD50:262 mg/kg

     OYYAA2    Oyo Yakuri. Pharmacometrics. 4 (1970),961.
8.    

ivn-mus LD50:40,900 µg/kg

     NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),241.
9.    

ivn-dog LD50:45,300 

Safety Profile

Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. An antitussive. When heated to decomposition it emits toxic fumes of Cl− and NOx. See also ALCOHOL, DENATURED; ALCOHOLS, C6-12; ALCOHOLS, C9-11; ALCOHOLS, C12-13, ETHOXYLATED; ALCOHOLS, C12-15, ETHOXYLATED; ALCOHOLS, C12-16, ETHOXYLATED; ALCOHOLS, C14-15, ETHOXYLATED; ALCOHOLS, C16-18, ETHOXYLATED; ALCOHOLS, C8-10, ETHOXYLATED PROPOXYLATED; ALCOHOLS, C12-15, ETHOXYLATED PROPOXYLATED; ALCOHOLS, N.O.S..

Specification

  Clobutinol hydrochloride with cas registry number of 1215-83-4 is also known as 1-p-Chlorophenyl-2,3-dimethyl-4-dimethylamino-2-butanol hydrochloride ; 2-(p-Chlorobenzyl)-3-dimethylaminomethyl-2-butanol hydrochloride ; 4-Chloro-alpha-(2-(dimethylamino)-1-methylethyl)-alpha-methylbenzeneethanol hydrochloride ; Biotertussin ; Benzeneethanol, 4-chloro-alpha-(2-(dimethylamino)-1-methylethyl)-alpha-methyl-, hydrochloride ; Clobutinol HCl ; KAT 256 ; Pertoxil ; Petoxil ; Silom ; Silomat ; p-Chloro-alpha-(2-dimethylamino-1-methylethyl)-alpha-methylphenethyl alcohol hydrochloride ; p-Chloro-alpha-(2-(dimethylamino)-1-methylethyl)-alpha-methylphenethyl alcohol hydrochloride ; p-Cloro-alpha-(2-(dimetilamino)-1-metiletil)-alpha-metil fenetil alcool cloridrato ; p-Cloro-alpha-(2-(dimetilamino)-1-metiletil)-alpha-metil fenetil alcool cloridrato [Italian] ; Phenethyl alcohol, p-chloro-alpha-(2-(dimethylamino)-1-methylethyl)-alpha-methyl-, HCl (8CI) .