Protonitazene hydrochloride

C₂₃H₃₁ClN₄O₃CAS 119276-01-6446.98 g/mol

Open in Covalent MOL file

Ether Nitro Tertiary amine

Properties

Molecular formula: C₂₃H₃₁ClN₄O₃
Molar mass: 446.98 g/mol
Exact mass: 446.2085 Da
logP: 5.09Crippen estimate
Polar surface area: 73.4 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 11

Identifiers

CAS number

119276-01-6

SMILES

CCCOC1=CC=C(C=C1)CC2=NC3=C(N2CCN(CC)CC)C=CC(=C3)[N+](=O)[O-].Cl

InChIKey

HXFAZCCRNXARMH-UHFFFAOYSA-N

InChI

InChI=1S/C23H30N4O3.ClH/c1-4-15-30-20-10-7-18(8-11-20)16-23-24-21-17-19(27(28)29)9-12-22(21)26(23)14-13-25(5-2)6-3;/h7-12,17H,4-6,13-16H2,1-3H3;1H

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Names and synonyms

1 names

N,N-Diethyl-5-nitro-2-[(4-propoxyphenyl)methyl]-1H-benzimidazole-1-ethanamine, monohydrochloride

Work with Protonitazene hydrochloride

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

N,N-Diethyl-2-[[4-(1-methylethoxy)phenyl]methyl]-5-nitro-1H-benzimidazole-1-ethanamine14188-81-973 % similar 1-Butoxy-4-nitrobenzene7244-78-239 % similar N-Methyl-4-nitro-N-[2-(4-nitrophenoxy)ethyl]benzeneethanamine115287-37-138 % similar Pracinostat929016-96-635 % similar 5-Ethyl-2-[2-(4-nitrophenoxy)ethyl]pyridine85583-54-635 % similar Tesmilifene98774-23-335 % similar 2-Butyl-3-(4-(3-(dibutylamino)propoxy)benzoyl)-5-nitrobenzofuran141645-23-033 % similar Benzenemethanamine, 4-nitro-N-propyl-, hydrochloride (1:1)68133-98-233 % similar

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

Elsewhere

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