Asenapine

C17H16ClNOCAS 65576-45-6285.77 g/mol

Open in Covalent MOL file
NOCl
Aryl halideEtherTertiary 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 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0
Stereocentres
R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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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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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Asenapine maleate85650-56-2Salt

Similar compounds

2-(2,4-Dichlorophenoxy)aniline26306-64-938 % similar Loxapine succinate27833-64-337 % similar 2-Chlorodibenz[b,f][1,4]oxazepin-11(10H)-one3158-91-635 % similar Amoxapine14028-44-534 % similar Xanthydrol90-46-033 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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