CBE

2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE

Created:	2005-07-21
Last modified:	2020-06-05

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7 entries where CBE is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	6

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Chemical Component Summary
Name	2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE
Synonyms	5,6-DIHYDRO-2-METHYL-1,4-OXATHIIN-3-CARBOXANILID; CARBOXIN; CBX
Systematic Name (OpenEye OEToolkits)	2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Formula	C₁₂ H₁₃ N O₂ S
Molecular Weight	235.302
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(C=1SCCOC=1C)Nc2ccccc2
SMILES	CACTVS	3.341	CC1=C(SCCO1)C(=O)Nc2ccccc2
SMILES	OpenEye OEToolkits	1.5.0	CC1=C(SCCO1)C(=O)Nc2ccccc2
Canonical SMILES	CACTVS	3.341	CC1=C(SCCO1)C(=O)Nc2ccccc2
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC1=C(SCCO1)C(=O)Nc2ccccc2
InChI	InChI	1.03	InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)
InChIKey	InChI	1.03	GYSSRZJIHXQEHQ-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB04657
Name	Carboxin
Groups	approved experimental
Description	A systemic agricultural fungicide and seed treatment agent.
Synonyms	5,6-Dihydro-2-methyl-1,4-oxathiin-3-carboxanilide Oxatin Carboxin 2,3-Dihydro-6-methyl-5-phenylcarbamoyl-1,4-oxathiin 5-Carboxanilido-2,3-dihydro-6-methyl-1,4-oxathiin Carbathiin 5,6-Dihydro-2-methyl-N-phenyl-1,4-oxathiin-3-carboxamide 2,3-Dihydro-5-carboxanilido-6-methyl-1,4-oxathiin 2,3-Dihydro-6-methyl-1,4-oxathiin-5-carboxanilide 5,6-Dihydro-2-methyl-3-carboxanilido-1,4-oxathiin Carboxine
Categories	Agrochemicals Amides Amines Anilides Aniline Compounds Compounds used in a research, industrial, or household setting Fungicides, Industrial Oxathiins Pesticides Toxic Actions
CAS number	5234-68-4

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Succinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrial	MSGVRGLSRLLSARRLALAKAWPTVLQTGTRGFHFTVDGNKRASAKVSDS...	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