TH8

THIAMPHENICOL

Created:	2008-08-28
Last modified:	2011-06-04

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1 entries where TH8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	2
Bond Count	36
Aromatic Bond Count	6

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Chemical Component Summary
Name	THIAMPHENICOL
Systematic Name (OpenEye OEToolkits)	2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]ethanamide
Formula	C₁₂ H₁₅ Cl₂ N O₅ S
Molecular Weight	356.222
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	ClC(Cl)C(=O)NC(C(O)c1ccc(cc1)S(=O)(=O)C)CO
SMILES	CACTVS	3.341	C[S](=O)(=O)c1ccc(cc1)[CH](O)[CH](CO)NC(=O)C(Cl)Cl
SMILES	OpenEye OEToolkits	1.5.0	CS(=O)(=O)c1ccc(cc1)C(C(CO)NC(=O)C(Cl)Cl)O
Canonical SMILES	CACTVS	3.341	C[S](=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl
Canonical SMILES	OpenEye OEToolkits	1.5.0	CS(=O)(=O)c1ccc(cc1)[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O
InChI	InChI	1.03	InChI=1S/C12H15Cl2NO5S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-16)15-12(18)11(13)14/h2-5,9-11,16-17H,6H2,1H3,(H,15,18)/t9-,10-/m1/s1
InChIKey	InChI	1.03	OTVAEFIXJLOWRX-NXEZZACHSA-N

Drug Info: DrugBank

DrugBank ID	DB08621
Name	Thiamphenicol
Groups	experimental investigational
Synonyms	Thiamphenicol
Categories	Alcohols Amphenicols Anti-Bacterial Agents Anti-Infective Agents Antibacterials for Systemic Use Antiinfectives for Systemic Use Benzene Derivatives Glycols Nitro Compounds Nitrobenzenes Propylene Glycols
ATC-Code	J01BA02 J01BA52
CAS number	15318-45-3

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Dr hemagglutinin structural subunit	MKKLAIMAAASMVFAVSSAHAGFTPSGTTGTTKLTVTEECQVRVGDLTVA...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682