chempirical

Thiamphenicol glycinate hydrochloride

C14H19Cl3N2O6SCAS 2611-61-2449.72 g/mol

Open in Covalent MOL file
SOOOHOOH2NNHOClClHCl
AlcoholAlkyl halideEsterPrimary amineSulfone

Properties

Molecular formula
C14H19Cl3N2O6S
Molar mass
449.72 g/mol
Exact mass
448.0029 Da
Melting point
184–185 °C
logP
1.18Crippen estimate
Polar surface area
139.3 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
8
Stereocentres
R, Rin SMILES atom order

Identifiers

CAS number
2611-61-2
SMILES
CS(=O)(=O)c1ccc([C@@H](O)[C@@H](COC(=O)CN)N=C(O)C(Cl)Cl)cc1.Cl
InChIKey
DKXJDBJNAXSJDH-MHDYBILJSA-N
InChI
InChI=1S/C14H18Cl2N2O6S.ClH/c1-25(22,23)9-4-2-8(3-5-9)12(20)10(7-24-11(19)6-17)18-14(21)13(15)16;/h2-5,10,12-13,20H,6-7,17H2,1H3,(H,18,21);1H/t10-,12-;/m1./s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • Glycine, (2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-[4-(methylsulfonyl)phenyl]propyl ester, hydrochloride (1:1)
  • Glycine, α-ester with 2,2-dichloro-N-[β-hydroxy-α-(hydroxymethyl)-p-(methylsulfonyl)phenethyl]acetamide, monohydrochloride, D-threo-(+)-
  • Glycine, 2-[(dichloroacetyl)amino]-3-hydroxy-3-[4-(methylsulfonyl)phenyl]propyl ester, monohydrochloride, [R-(R*,R*)]-
  • Glycine, (2R,3R)-2-[(dichloroacetyl)amino]-3-hydroxy-3-[4-(methylsulfonyl)phenyl]propyl ester, monohydrochloride
  • Glycine, α-ester with D-threo-(+)-2,2-dichloro-N-[β-hydroxy-α-(hydroxymethyl)-p-(methylsulfonyl)phenethyl]acetamide, monohydrochloride
  • Thiophenicol glycinate
  • Neomyson G

Work with Thiamphenicol glycinate hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Thiamphenicol15318-45-364 % similar Florfenicol73231-34-263 % similar Florfenicol76639-94-663 % similar (2R,3R)-2-[(2,2-Dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl octadecanoate16255-48-449 % similar Chloramphenicol palmitate530-43-849 % similar (-)-Chloramphenicol56-75-739 % similar Glycine benzyl ester monohydrochloride2462-31-931 % similar 4-(Methylsulfonyl)phenylacetic acid90536-66-631 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook