I06

2-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE-1,4-DIONE

Created:	2000-02-01
Last modified:	2011-06-04

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	17

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Chemical Component Summary
Name	2-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE-1,4-DIONE
Systematic Name (OpenEye OEToolkits)	3-phenethyl-2H-phthalazine-1,4-dione
Formula	C₁₆ H₁₄ N₂ O₂
Molecular Weight	266.295
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C2c1c(cccc1)C(=O)N(N2)CCc3ccccc3
SMILES	CACTVS	3.341	O=C1NN(CCc2ccccc2)C(=O)c3ccccc13
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)CCN2C(=O)c3ccccc3C(=O)N2
Canonical SMILES	CACTVS	3.341	O=C1NN(CCc2ccccc2)C(=O)c3ccccc13
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)CCN2C(=O)c3ccccc3C(=O)N2
InChI	InChI	1.03	InChI=1S/C16H14N2O2/c19-15-13-8-4-5-9-14(13)16(20)18(17-15)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,19)
InChIKey	InChI	1.03	JSSVIGGKHIJEHO-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03421
Name	2-Phenethyl-2,3-Dihydro-Phthalazine-1,4-Dione
Groups	experimental
Synonyms	2-Phenethyl-2,3-Dihydro-Phthalazine-1,4-Dione

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Heat-labile enterotoxin B chain	MNKVKCYVLFTALLSSLYAHGAPQTITELCSEYRNTQIYTINDKILSYTE...	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