Isonox

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Basic information

CAS: 56335-22-9
Standard SMILES: Cc1ccccc1-n1c(C)nc2ccccc2c1=O.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O.OCCOCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIKey: RCYUVMCXOQTZOZ-FHQKDBNESA-N
Molecular formula: C47H53ClN4O12
Average molar mass: 901.4 g/mol
Monoisotopic mass: 900.3348508

Overview

combination of methaqualone and etodroxizine

Names & identifiers

Preferred name: Isonox
IUPAC: bis((Z)-but-2-enedioic acid);2-[2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethoxy]ethanol;2-methyl-3-(2-methylphenyl)quinazolin-4-one

Names & synonyms

Isonox56335-22-9RefChem:1496252-methyl-3-(2-methylphenyl)-4(3H)-quinazolinone mixt. with 2-(2-(2-(4-((4-chlorophenyl)phenyl methyl)-1-piperazinyl)ethoxy)ethoxy)ethanol(Z)-2-butenedioate (1:2) (salt)SCHEMBL29362152RCYUVMCXOQTZOZ-FHQKDBNESA-N(Z)-but-2-enedioic acid;2-[2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethoxy]ethanol;2-methyl-3-(2-methylphenyl)quinazolin-4-one2-Methyl-3-(2-methylphenyl)-4(3H)-quinazolinone mixt. with 2-(2-(2-(4-((4-chlorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)ethoxy)ethanol (Z)-2-butenedioate (1:2) (salt)4(3H)-Quinazolinone, 2-methyl-3-(2-methylphenyl)-, mixt. with 2-(2-(2-(4-((4-chlorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)ethoxy)ethanol (2Z)-2-butenedioate (1:2) (salt)

Database identifiers

CAS: 56335-22-9
PubChem CID: 6435941

Properties

Computed structural properties

Topological polar surface area: 227 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 15
Rotatable bonds: 16
Heavy atoms: 64
Formal charge: 0
Complexity: 930

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Compound notes

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