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2219-30-9

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Basic Information
CAS No.: 2219-30-9
Name: D(-)PENICILLAMINE HYDROCHLORIDE
Article Data: 6
Molecular Structure:
Molecular Structure of 2219-30-9 (D(-)PENICILLAMINE HYDROCHLORIDE)
Formula: C5H11 N O2 S . Cl H
Molecular Weight: 185.675
Synonyms: D-Valine,3-mercapto-, hydrochloride (9CI); Valine, 3-mercapto-, hydrochloride, D- (8CI);D-(-)-Penicillamine hydrochloride; D-Penicillamine hydrochloride; Distamine;Penicillamine hydrochloride
Density: 1.204g/cm3
Melting Point: 177.5 °C (decomp)
Boiling Point: 251.8°Cat760mmHg
Flash Point: 106.1°C
Hazard Symbols:
Risk Codes: 20/21/22-40
Safety: A poison by intraperitoneal route. Moderately toxic by ingestion and intravenous routes. Human systemic effects by ingestion: dermatitis. When heated to decomposition it emits very toxic fumes of NOx, SOx, and HCl.
PSA: 102.12000
LogP: 1.60900
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Chemistry

Empirical Formula of Penicillamine hydrochloride (CAS NO.2219-30-9): C5H12ClNO2S
Molecular Weight: 185.6723 
EINECS: 218-727-9
Flash Point: 106.1 °C
Enthalpy of Vaporization: 53.85 kJ/mol
Boiling Point: 251.8 °C at 760 mmHg
Vapour Pressure: 0.00631 mmHg at 25 °C
Structure of Penicillamine hydrochloride (CAS NO.2219-30-9):
                        
IUPAC Name: 2-Amino-3-methyl-3-sulfanylbutanoic acid hydrochloride
Canonical SMILES: CC(C)(C(C(=O)O)N)S.Cl
InChI: InChI=1S/C5H11NO2S.ClH/c1-5(2,9)3(6)4(7)8;/h3,9H,6H2,1-2H3,(H,7,8);1H
InChIKey: CZDHUFYOXKHLME-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-hmn TDLo:5460 mg/kg:SKN

     BMJOAE    British Medical Journal. 1 (1977),838.
2.    

ipr-mus LD50:200 mg/kg

     NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD277-689 .
3.    

orl-mam LD50:3670 mg/kg

     ANTBAL    Antibiotiki. 14 (1969),837.
4.    

ivn-mam LD50:2170 mg/kg

     ANTBAL    Antibiotiki. 14 (1969),837.

Safety Profile

A poison by intraperitoneal route. Moderately toxic by ingestion and intravenous routes. Human systemic effects by ingestion: dermatitis. When heated to decomposition Penicillamine hydrochloride (CAS NO.2219-30-9) emits very toxic fumes of NOx, SOx, and HCl.
Hazard Codes: HarmfulXn
Risk Statements: 20/21/22-40 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed. 
R40:Limited evidence of a carcinogenic effect.
Safety Statements: 22-36 
S22:Do not breathe dust. 
S36:Wear suitable protective clothing.

Specification

 Penicillamine hydrochloride , its cas register number is 2219-30-9. It also can be called D-Penicillamine hydrochloride ; D-(-)-Penicillamine hydrochloride ; and D-Valine, 3-mercapto-, hydrochloride .