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(2S)-2-amino-3-methyl-3-sulfanylbutanoic acid;hydron;chloride

HCID 657307
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
2219-30-9
Standard SMILES
CC(C)(S)[C@@H](N)C(=O)O.[Cl-].[H+]
InChIKey
CZDHUFYOXKHLME-DFWYDOINSA-N
Molecular formula
C5H12ClNO2S
Average molar mass
185.67 g/mol
Monoisotopic mass
185.0277275

Overview

See also: Penicillamine hydrochloride (preferred).

Names & identifiers

Preferred name
(2S)-2-amino-3-methyl-3-sulfanylbutanoic acid;hydron;chloride
IUPAC
(2S)-2-amino-3-methyl-3-sulfanylbutanoic acid;hydron;chloride
English name
D(-)Penicillamine hydrochloride
Molecular formula
C5H12ClNO2S
Molecular weight
185.67

Names & synonyms

usafel-23usafa-1705D-PENICILLAMINEHCLβ,β-Dimethyl-D-cysteinepenicillaminehydrochlorideD-PENICILLAMINE HYDROCHLORIDED(-)Penicillamine hydrochloride3-mercapto-,hydrochloride,d-valin3-mercapto-D-Valine hydrochlorideD(-)PENICILLAMINE HYDROCHLORIDE 99%

Database identifiers

CAS
2219-30-9
PubChem CID
657307

Properties

Computed structural properties

Topological polar surface area
64.3 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
10
Formal charge
0
Complexity
124

Physicochemical properties

Melting point
177.5 °C · 177.5 °C (decomp)
alpha
25 · D25 -63° (1N NaOH)
storage temp.
2 · 2-8°C
solubility
Aqueous Base (Slightly, Heated, Sonicated), Methanol (Slightly, Heated)
form
A solid
color
White to Off-White
FDA UNII
5 N9JK529ZJ · 5N9JK529ZJ
Symbol(GHS)
8 · GHS08
Signal word
Danger
Hazard statements
315 · H315-H334
Precautionary statements
261 · P261-P285-P304+P341-P342+P311-P501-P264-P280-P302+P352-P321-P332+P313-P362
Hazard Codes
Xn
Risk Statements
20 · 20/21/22-40
Safety Statements
22 · 22-36
RTECS
9450000 · YV9450000
Toxicity
50 i.v · LD50 i.v. in mice: 2289 mg/kg (Veis)

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

rtecs
YV9450000
Toxicity
LD50 i.v. in mice: 2289 mg/kg (Veis)
risk_code
20/21/22-40
Signal word
Danger
Symbol(GHS)
GHS08
hazard_code
Xn
safety_code
22-36
Hazard statements
H315-H334
Precautionary statements
P261-P285-P304+P341-P342+P311-P501-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Applications · 1 item

UsesD-Penicillamine Hydrochloride showed protective effect on mitochondrial respiration in the brain. It is used in the treatment of Wilson’s disease and heavy metal poisoning. D-Penicillamine Hydrochloride is the salt form of D-Penicillamine (P223000).

Upstream & downstream products

Upstream raw materials

Mercury chlorideSodium hydroxideHydrogen SulfidePhenylhydrazinePenicillin G potassium salt

Downstream products

N-Acetyl-3-mercapto-D-valine

Suppliers9 total

武汉易泰科技有限公司上海分公司18930552037 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
艾吉析科技(上海)有限公司17717235263 17717235263 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
上海皓鸿生物医药科技有限公司

Related reactions

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
400-8210725 4008210725 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]