phenactropinium (TROPHENIUM) Report issue

Small molecule Experimental

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Chemistry

Mol. Mass

394.4834

ALogP

3.29

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: C[N+]2(CC(=O)C1=CC=CC=C1)[C@H]3CC[C@@H]2C[C@@H](C3)OC(=O)C(O)C4=CC=CC=C4
  • InChIKey: REFUXNZBPJQVLU-VLBFHQNGSA-N
    1S/C24H28NO4/c1-25(16-22(26)17-8-4-2-5-9-17)19-12-13-20(25)15-21(14-19)29-24(28)23(27)18-10-6-3-7-11-18/h2-11,19-21,23,27H,12-16H2,1H3/q+1/t19-,20+,21+,23?,25?
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2111125   ChEMBL
phenactropinium

5O3E9EBA8Q   NCATS
phenactropinium *

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