benidipine (coniel) Report issue

Small molecule Experimental
AACT ChEMBL DrugBank Drug Central KEGG PubChem

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Chemistry

Mol. Mass

505.57

ALogP

4.21

Rule of 5

No

Rule of 3

No
Details
  • SMILES: COC(=O)C1=C(C)NC(=C([C@@H]1c2cccc(c2)[N+](=O)[O-])C(=O)O[C@@H]3CCCN(Cc4ccccc4)C3)C
  • InChIKey: QZVNQOLPLYWLHQ-ZEQKJWHPSA-N
    InChI=1S/C28H31N3O6/c1-18-24(27(32)36-3)26(21-11-7-12-22(15-21)31(34)35)25(19(2)29-18)28(33)37-23-13-8-14-30(17-23)16-20-9-5-4-6-10-20/h4-7,9-12,15,23,26,29H,8,13-14,16-17H2,1-3H3/t23-,26-/m1/s1
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2105555   ChEMBL
benidipine

CHEMBL2218858   ChEMBL
benidipine

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