Tofisopam

C₂₂H₂₆N₂O₄CAS 22345-47-7382.46 g/mol

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Properties

Molecular formula: C₂₂H₂₆N₂O₄
Molar mass: 382.46 g/mol
Exact mass: 382.1893 Da
Melting point: 156.5 °C
logP: 4.44Crippen estimate
Polar surface area: 61.6 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 6

Identifiers

CAS number

22345-47-7

SMILES

CCC1C(C)=NN=C(c2ccc(OC)c(OC)c2)c2cc(OC)c(OC)cc21

InChIKey

RUJBDQSFYCKFAA-UHFFFAOYSA-N

InChI

InChI=1S/C22H26N2O4/c1-7-15-13(2)23-24-22(14-8-9-18(25-3)19(10-14)26-4)17-12-21(28-6)20(27-5)11-16(15)17/h8-12,15H,7H2,1-6H3

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Names and synonyms

9 names

5H-2,3-Benzodiazepine, 1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-
1-(3,4-Dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine
Grandaxin
EGYT 341
7,8-Dimethoxy-1-(3,4-dimethoxyphenyl)-5-ethyl-4-methyl-5H-2,3-benzodiazepine
Seriel
1-(3,4-Dimethoxyphenyl)-4-methyl-5-ethyl-7,8-dimethoxy-5H-2,3-benzodiazepine
Nodeprine
1-(3,4-Dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-benzo[d][1,2]diazepine

Work with Tofisopam

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,4-Dimethoxyacetophenone1131-62-041 % similar Propioveratrone1835-04-738 % similar Veratric acid hydrazide41764-74-338 % similar 3,4-Dimethoxybenzamide1521-41-137 % similar Veratric acid93-07-237 % similar Methyl 3,4-dimethoxybenzoate2150-38-135 % similar 3,4-Dimethoxybenzoyl chloride3535-37-335 % similar 1-(4-Benzyloxy-3-methoxyphenyl)ethanone1835-11-633 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Isocorynoxeine51014-29-0 Corynoxeine630-94-4 Phenylmethyl N-[(1S)-1-[[(1-formyl-2-phenylethyl)amino]carbonyl]-2-methylpropyl]carbamate88191-84-8

Elsewhere

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