Thiamphenicol glycinate acetylcysteinate
Basic information
- CAS
75639-30-4- Standard SMILES
CSC[C@@H](C=O)NC(=O)C(N)C(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc(S(C)(=O)=O)cc1- InChIKey
XJPDHYDVUWVXIF-KREAIGTHSA-N- Molecular formula
- C19H25Cl2N3O8S2
- Average molar mass
- 558.5 g/mol
- Monoisotopic mass
- 557.0460125
Names & identifiers
- Preferred name
- Thiamphenicol glycinate acetylcysteinate
- IUPAC
- [(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-methylsulfonylphenyl)propyl] 2-amino-3-[[(2R)-1-methylsulfanyl-3-oxopropan-2-yl]amino]-3-oxopropanoate
Names & synonyms
Thiamphenicol glycinate acetylcysteinateAcetylcysteinate ester of thiamphenicol glycinateTAGACRefChem:18925675639-30-4EINECS 278-282-1L-Cysteine, N-acetyl-, ester with glycine 2-((dichloroacetyl)amino)-3-hydroxy-3-(4-(methylsulfonyl)phenyl)propyl ester, (R-(R*,R*))-N-Acetyl-L-cysteine, ester with (R-(R*,R*))-2-(dichloroacetamido)-3-hydroxy-3-(p-mesylphenyl)propyl glycinateFluimucil (TN)[(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-methylsulfonylphenyl)propyl] 2-amino-3-[[(2R)-1-methylsulfanyl-3-oxopropan-2-yl]amino]-3-oxopropanoateDTXSID30997070D08582
Show more names
2,2-Dichloro-N-{1-hydroxy-1-[4-(methanesulfonyl)phenyl]-3-[(3-{[1-(methylsulfanyl)-3-oxopropan-2-yl]imino}seryl)oxy]propan-2-yl}ethanimidic acidDichloro-N-{(1R,2R)-1-hydroxy-1-[4-(methanesulfonyl)phenyl]-3-[(3-{[(2R)-1-(methylsulfanyl)-3-oxopropan-2-yl]imino}seryl)oxy]propan-2-yl}ethanimidic acid
Database identifiers
- CAS
75639-30-4- PubChem CID
- 3080935
- DTXSID
DTXSID30997070- EC Number
- 278-282-1
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 216 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 14
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 817
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…