ergonovine (Ergotrate) Report issue

Small molecule Experimental
AACT ChEMBL DrugBank Drug Central KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

325.41

ALogP

1.53

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: C[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
  • InChIKey: WVVSZNPYNCNODU-XTQGRXLLSA-N
    InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)/t11-,13+,17+/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL119443   ChEMBL
ergonovine *

CHEMBL1213135   ChEMBL
ergonovine maleate

WH41D8433D   NCATS
ergonovine *

Ergometrine   Wikipedia

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