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Chemistry

Mol. Mass

353.458

ALogP

1.94

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2CC3=CN(C)C4=C3C(=CC=C4)C2=C1
  • InChIKey: KPJZHOPZRAFDTN-ZRGWGRIASA-N
    1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1065   ChEMBL
methysergide

CHEMBL1200938   ChEMBL
methysergide maleate

CHEMBL3989558   ChEMBL

CHEMBL485253   ChEMBL

XZA9HY6Z98   NCATS
methysergide *

Methysergide   Wikipedia

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