penthienate bromide Report issue

Small molecule Experimental
ChEMBL Drug Central KEGG PubChem

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Chemistry

Mol. Mass

340.51

ALogP

3.16

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC[N+](C)(CC)CCOC(=O)C(O)(c1cccs1)C1CCCC1
  • InChIKey: NEMLPWNINZELKP-UHFFFAOYSA-N
    InChI=1S/C18H30NO3S/c1-4-19(3,5-2)12-13-22-17(20)18(21,15-9-6-7-10-15)16-11-8-14-23-16/h8,11,14-15,21H,4-7,9-10,12-13H2,1-3H3/q+1
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2110700   ChEMBL
penthienate *

CHEMBL2105315   ChEMBL
penthienate bromide

6LCT38OJV9   NCATS
penthienate *

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