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L-Cysteine,S-(carboxymethyl)-(CAS No. 638-23-3)

L-Cysteine,S-(carboxymethyl)- C5H9NO4S (cas 638-23-3) Molecular Structure

638-23-3 Structure

Identification and Related Records

【Name】
L-Cysteine,S-(carboxymethyl)-
【CAS Registry number】
638-23-3
【Synonyms】
Alanine,3-[(carboxymethyl)thio]-, L- (6CI,8CI)
(2R)-2-Amino-3-[(carboxymethyl)thio]propionic acid
(L)-2-Amino-3-(carboxymethylthio)propionicacid
(R)-S-(Carboxymethyl)cysteine
3-[(Carboxymethyl)thio]-L-alanine
AHR3053
Bronchokod
Carbocysteine
Chilvax
L-(Carboxymethyl)cysteine
LJ 206
Lisil
Lisomucil
Loviscol
Muciclar
Mucocis
Mucodyne
Mucofan
Mucolase
Mucolex
Pectox
Pulmoclase
Reomucil
Rhinathiol
Rhinatiol
S-(Carboxymethyl)-(R)-cysteine
Siroxyl
Thiodril
Transbronchin
L-Carbocysteine(S-CMC)
【EINECS(EC#)】
211-327-5
【Molecular Formula】
C5H9NO4S (Products with the same molecular formula)
【Molecular Weight】
179.19426
【Inchi】
InChI=1S/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)
【InChIKey】
GBFLZEXEOZUWRN-UHFFFAOYSA-N
【Canonical SMILES】
C(C(C(=O)O)N)SCC(=O)O
【MOL File】
638-23-3.mol

Chemical and Physical Properties

【Appearance】
white to slightly off-white amorphous powder
【Density】
1.514 g/cm3
【Melting Point】
205-207 oC
【Boiling Point】
417.3 °C at 760 mmHg
【Flash Point】
206.2 °C
【Alpha】
-31 o (C=1, 10% NAH2CO3)
【Water】
soluble in cold water
【Solubilities】
soluble in cold water
【Stability】
Stable under normal temperatures and pressures.
【Storage temp】
2-8°C
【Computed Properties】
Molecular Weight:179.19426 [g/mol]
Molecular Formula:C5H9NO4S
XLogP3-AA:-3.1
H-Bond Donor:3
H-Bond Acceptor:6
Rotatable Bond Count:5
Exact Mass:179.025228
MonoIsotopic Mass:179.025228
Topological Polar Surface Area:126
Heavy Atom Count:11
Formal Charge:0
Complexity:161
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:4
Feature 3D Donor Count:1
Feature 3D Anion Count:2
Feature 3D Cation Count:1
Effective Rotor Count:5
Conformer Sampling RMSD:0.6
CID Conformer Count:70

Safety and Handling

【Hazard Codes】
Xi: Irritant;
【Risk Statements】
R36/37/38
【Safety Statements 】
24/25-36-26
【Safety】

Moderately toxic by intraperitoneal route. Mildly toxic by ingestion. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of SOx and NOx.
Hazard Codes: IrritantXi
WGK Germany: 2
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 24/25-36-26
S24/25:Avoid contact with skin and eyes.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.

【Specification】

Chemical Stability: Stable under normal temperatures and pressures.
Conditions to Avoid: Incompatible materials.
Incompatibilities with Other Materials Strong oxidizing agents.
Hazardous Decomposition Products Carbon monoxide, carbon dioxide.
Hazardous Polymerization Hazardous Polymerization

【Report】

Reported in EPA TSCA Inventory.

Use and Manufacturing

【Usage】
An expectorant that can be used to help relieve the symptoms of chronic obstructive pulmonary disorder and bronchiectasis.

Biomedical Effects and Toxicity

【Pharmacological Action】
- Substances used on humans and other animals that destroy harmful microorganisms or inhibit their activity. They are distinguished from DISINFECTANTS, which are used on inanimate objects.
- Agents that increase mucous excretion. Mucolytic agents, that is drugs that liquefy mucous secretions, are also included here.

Supplier Location

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Diamond member Hangzhou Dayangchem Co., Ltd.
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Telephone:86-571-87396430
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Telephone:0086-319-3157755
Hui Chem Company Limited
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Business Type:Manufacturer
Telephone:86-21-60542966

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