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Thiamphenicol glycinate

CAT: 0013-GTR19261218-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19261218-01Size:50 mg
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Description
Thiamphenicolglycinate is an α-amino acid ester and serves as a prodrug of Thiamphenicol.
CAS Number
2393-92-2
Field of Research
Pharmacology & Drug Discovery
Smiles
[C@@H] ([C@H] (O) C1=CC=C (S (C) (=O) =O) C=C1) (NC (C (Cl) Cl) =O) COC (CN) =O
Molecular Formula
C14H18Cl2N2O6S
Molecular Weight
413.27
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Thiamphenicol Glycinate

Thiamphenicol glycinate is an alpha-amino acid ester.

CAS Number2393-92-2
PubChem CID115817
IUPAC Name[(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-methylsulfonylphenyl)propyl] 2-aminoacetate
Molecular FormulaC14H18Cl2N2O6S
Molecular Weight413.3
XLogP-0.6
Topological Polar Surface Area144
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count25
Formal Charge0
Complexity558
SMILES
CS(=O)(=O)C1=CC=C(C=C1)[C@H]([C@@H](COC(=O)CN)NC(=O)C(Cl)Cl)O
InChI
InChI=1S/C14H18Cl2N2O6S/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)/t10-,12-/m1/s1
InChIKey
AMGKHLVPQHMHGQ-ZYHUDNBSSA-N
Chemical Structure
2D Structure
2D structure of Thiamphenicol Glycinate
CAS: 2393-92-2
CID: 115817
Formula: C14H18Cl2N2O6S
MW: 413.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight413.3
XLogP3-0.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass412.0262629
Monoisotopic Mass412.0262629
Topological Polar Surface Area144 Ų
Heavy Atom Count25
Formal Charge0
Complexity558
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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