Asenapine

C₁₇H₁₆ClNOCAS 65576-45-6285.77 g/mol

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Aryl halide Ether Tertiary amine

Properties

Molecular formula: C₁₇H₁₆ClNO
Molar mass: 285.77 g/mol
Exact mass: 285.0920 Da
logP: 4.26Crippen estimate
Polar surface area: 12.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0
Stereocentres: R, Rin SMILES atom order

Identifiers

CAS number

65576-45-6

SMILES

CN1C[C@H]2c3ccccc3Oc3ccc(Cl)cc3[C@@H]2C1

InChIKey

VSWBSWWIRNCQIJ-PTTDRDKLNA-N

InChI

InChI=1/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15-/s2

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Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

1H-Dibenz[2,3:6,7]oxepino[4,5-c]pyrrole, 5-chloro-2,3,3a,12b-tetrahydro-2-methyl-, (3aR,12bR)-rel-
1H-Dibenz[2,3:6,7]oxepino[4,5-c]pyrrole, 5-chloro-2,3,3a,12b-tetrahydro-2-methyl-, trans-
Rel-(3aR,12bR)-5-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrole
Saphris
Sycrest
Alkepin

Work with Asenapine

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

Asenapine maleate85650-56-275 % similar 2-(2,4-Dichlorophenoxy)aniline26306-64-938 % similar Amoxapine14028-44-534 % similar 5-Chloro-2-phenoxybenzenamine93-67-433 % similar 4-Chloro-2-fluoro-1-methoxybenzene452-09-533 % similar 5-Chloro-1,3-benzodioxole7228-38-833 % similar Prochlorperazine58-38-832 % similar 5,8-Dichloro-11-methyldibenzo[c,f]thiazepine 10,10-dioxide26638-66-432 % similar

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

Elsewhere

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