BRX

BROMAMPHENICOL

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

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1 entries where BRX is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	2
Bond Count	32
Aromatic Bond Count	6

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Chemical Component Summary
Name	BROMAMPHENICOL
Systematic Name (OpenEye OEToolkits)	2,2-dibromo-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]ethanamide
Formula	C₁₁ H₁₂ Br₂ N₂ O₅
Molecular Weight	412.031
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	BrC(Br)C(=O)NC(C(O)c1ccc([N+]([O-])=O)cc1)CO
SMILES	CACTVS	3.341	OC[CH](NC(=O)C(Br)Br)[CH](O)c1ccc(cc1)[N+]([O-])=O
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1C(C(CO)NC(=O)C(Br)Br)O)[N+](=O)[O-]
Canonical SMILES	CACTVS	3.341	OC[C@@H](NC(=O)C(Br)Br)[C@H](O)c1ccc(cc1)[N+]([O-])=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Br)Br)O)[N+](=O)[O-]
InChI	InChI	1.03	InChI=1S/C11H12Br2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1
InChIKey	InChI	1.03	UWOHGNMWBGIRAQ-RKDXNWHRSA-N

Drug Info: DrugBank

DrugBank ID	DB07492
Name	Bromamphenicol
Groups	experimental
Synonyms	Bromamphenicol
Categories	Alcohols Benzene Derivatives Glycols Nitro Compounds Nitrobenzenes Propylene Glycols
CAS number	16803-75-1

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