MW: 679.79
CAS: 6190-39-2
TNP NUMBER: TNP00147
MDL NUMBER: MFCD05618219
Smiles: CN1[C@@H]2(Cc3c4c(cccc4[nH]c3)[C@H]2C[C@H](C(N[C@@]2(O[C]3(N(C2=O)[C@H](C(N2[C@H]3(CCC2))=O)Cc2ccccc2)O)C)=O)(C1)).CS(O)(=O)=O
THERAPEUTIC CATEGORY: Antimigraine
REFERENCE: Merck, 13, 3196
SOURCE: Ergot Alkaloids. Preparation from ergotamine
ACCEPTORS: 8
DONORS: 4
ROTATION BONDS: 1
N+O: 13
Chiral Centers: 7
LogP: 3.71
LogS: -5.99
LIPINSKI: 3
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