methylergometrine Report issue

Small molecule Approved FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

339.44

ALogP

1.92

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
  • InChIKey: UNBRKDKAWYKMIV-QWQRMKEZSA-N
    InChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)/t13-,14+,18-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1201356   ChEMBL
methylergonovine *

CHEMBL1200843   ChEMBL
methylergonovine maleate

W53L6FE61V   NCATS
methylergonovine *

Methylergometrine   Wikipedia

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