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| CAS No.: | 2387-59-9 |
|---|---|
| Name: | S-Carboxymethyl-L-cysteine |
| Article Data: | 25 |
| Molecular Structure: | |
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|
|
| Formula: | C5H9NO4S |
| Molecular Weight: | 179.19 |
| Synonyms: | Mucodyne;S-Carboxymethyl-L-cysteine;Loviscol;Mucofan; |
| EINECS: | 211-327-5 |
| Density: | 1.514 g/cm3 |
| Melting Point: | 205-207℃ |
| Boiling Point: | 417.3 °C at 760 mmHg |
| Flash Point: | 206.2 °C |
| Solubility: | SOLUBLE IN COLD WATER |
| Appearance: | Carbocysteine occurs as a white crystalline powder |
| PSA: | 125.92000 |
| LogP: | -0.08360 |
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Chemistry
IUPAC Name: 2-Amino-3-(carboxymethylsulfanyl)propanoic acid
Following is the structure of S-(Carboxymethyl)cysteine (CAS NO.2387-59-9):
Empirical Formula: C5H9NO4S
Molecular Weight: 179.1943
Index of Refraction: 1.588
Molar Refractivity: 39.83 cm3
Molar Volume: 118.3 cm3
Density: 1.514 g/cm3
Flash Point: 206.2 °C
Surface Tension: 78 dyne/cm
Enthalpy of Vaporization: 73.57 kJ/mol
Boiling Point of S-(Carboxymethyl)cysteine (CAS NO.2387-59-9): 417.3 °C at 760 mmHg
Vapour Pressure of S-(Carboxymethyl)cysteine (CAS NO.2387-59-9): 3.91E-08 mmHg at 25 °C
Canonical SMILES: C(C(C(=O)O)N)SCC(=O)O
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
Toxicity Data With Reference
| 1. | ipr-rat LD50:7800 mg/kg | OYYAA2 Oyo Yakuri. Pharmacometrics. 14 (1977),567. | ||
| 2. | scu-rat LD50:10,300 mg/kg | OYYAA2 Oyo Yakuri. Pharmacometrics. 14 (1977),567. | ||
| 3. | ipr-mus LD50:2980 mg/kg | IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. 12 (1981),668. | ||
| 4. | scu-mus LD50:9000 mg/kg | IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. 12 (1981),668. |
Safety Profile
Moderately toxic by intraperitoneal route. Mildly toxic by subcutaneous route. When heated to decomposition it emits toxic fumes of SOx and NOx. See also AMINES.
Specification
S-(Carboxymethyl)cysteine , its cas register number 2387-59-9. It also can be called Carbocistein ; Mucodyne ; and S-Carboxymethyl-L-cysteine .