thiothixene (navane) Report issue

Small molecule Approved FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

552.59

ALogP

3.47

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: O.O.Cl.Cl.CN(C)S(=O)(=O)c1ccc2Sc3ccccc3\C(=C\CCN4CCN(C)CC4)\c2c1
  • InChIKey: MEUAAEMCZUPORO-LRSHZYOCSA-N
    InChI=1S/C23H29N3O2S2.2ClH.2H2O/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26;;;;/h4-5,7-11,17H,6,12-16H2,1-3H3;2*1H;2*1H2/b19-8-;;;;
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3989824   ChEMBL
thiothixene hydrochloride *

CHEMBL1200902   ChEMBL
thiothixene hydrochloride

CHEMBL1201   ChEMBL
thiothixene

7318FJ13YJ   NCATS
thiothixene *

Tiotixene   Wikipedia

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