THIAMPHENICOL GLYCINATE HYDROCHLORIDE

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Keyword(s): Human Metabolites
Molecule Category Salt-form
UNII 88VGC22BWE
EPA CompTox DTXSID6023650

Structure

InChI Key DKXJDBJNAXSJDH-MHDYBILJSA-N
Smiles [Cl-].CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](COC(=O)CN)NC(=O)C(Cl)Cl.[H+]
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+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H18Cl2N2O6S1
Molecular Weight 412.03
AlogP 0.75
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 139.28
Heavy Atoms 25.0

Cross References

Resources Reference
CAS NUMBER 2611-61-2
NORMAN SUSDAT
FDA SRS 88VGC22BWE
PubChem 46941500
ChemSpider 4447669.0
CONTENTS