Basic information
- Standard SMILES
COC(=O)[C@@H](N)CS- InChIKey
MCYHPZGUONZRGO-VKHMYHEASA-N- Molecular formula
- C4H9NO2S
- Average molar mass
- 135.19 g/mol
- Monoisotopic mass
- 135.0353997
Names & identifiers
- Preferred name
- L-Cysteine, methyl ester
- IUPAC
- methyl (2R)-2-amino-3-sulfanylpropanoate
- English name
- mecysteine
- Molecular formula
- C4H9NO2S
- Molecular weight
- 135.18
Names & synonyms
mecysteineMethyl L-cysteinateMethyl Cysteine2485-62-3MecisteinaMecysteinumMethyl (R)-cysteinateMethyl ester of cysteineL-Cysteine, methyl esterRQ6L463N3BDTXSID8048365CHEBI:41531
Show more names
L-Cys-OMeCysteine methylMethyl cysteinateL-Cysteine methylmecysteine USP/EP/BP
RefChem:924394DTXCID4028339219-625-7Cysteine methyl estermethyl (2R)-2-amino-3-sulfanylpropanoateO-METHYLCYSTEINEL-CYSTEINE METHYL ESTERMecysteine [INN]
Database identifiers
- CAS
2485-62-3- PubChem CID
- 29145
- DTXSID
DTXSID8048365- ChEMBL
CHEMBL1231844、CHEMBL1622757- ChEBI
CHEBI:41531- UNII
- RQ6L463N3B
- EC Number
- 219-625-7
- Nikkaji
- J191.765J
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 86
Experimental & physicochemical properties
Collision Cross Section122.47 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Boiling point
- 197.2 · 197.2±30.0 °C(Predicted)
- Density
- 1.163 · 1.163±0.06 g/cm3(Predicted)
- pka
- 9.35 · 9.35±0.10(Predicted)
- FDA UNII
- 6 L463N3B · RQ6L463N3B
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationAgents that increase mucous excretion. Mucolytic agents, that is drugs that liquefy mucous secretions, are also included here.
Upstream & downstream products
Downstream products
Suppliers4 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Additional notes
DefinitionChEBI: An L-cysteinyl ester resulting from the formal condensation of the carboxylic acid group of L-cysteine with methanol. It is used (as the hydrochloride salt) as a mucolytic for the treatment of respiratory disorders associa ed with productive cough.
Related reactions
4 records
Linked notes
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