sofpironium Report issue

Small molecule Experimental
AACT PubChem

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Chemistry

Mol. Mass

390.5

ALogP

2.39

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CCOC(=O)C[N+]1(C)CC[C@@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1
  • InChIKey: SEVCTUCCZYBJER-BSJAROSPSA-N
    InChI=1S/C22H32NO5/c1-3-27-20(24)16-23(2)14-13-19(15-23)28-21(25)22(26,18-11-7-8-12-18)17-9-5-4-6-10-17/h4-6,9-10,18-19,26H,3,7-8,11-16H2,1-2H3/q+1/t19-,22+,23?/m1/s1
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3707224   ChEMBL
sofpironium *

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