anisotropine methylbromide (valpin) Report issue

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

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Chemistry

Mol. Mass

282.45

ALogP

3.52

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CCCC(CCC)C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)[N+]2(C)C
  • InChIKey: XGGHHHBGPSNXFE-ZSHCYNCHSA-N
    InChI=1S/C17H32NO2/c1-5-7-13(8-6-2)17(19)20-16-11-14-9-10-15(12-16)18(14,3)4/h13-16H,5-12H2,1-4H3/q+1/t14-,15+,16+
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1186610   ChEMBL
anisotropine *

CHEMBL1578   ChEMBL
anisotropine methylbromide

704G17JK68   NCATS
methyl anisotropinium *

Octatropine methylbromide   Wikipedia

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