MetaADEDB 2.0 @ LMMD
Dihydroergotoxine
(ADYPXRFPBQGGAH-WVVAGBSPSA-N)
Structure
SMILES
CS(=O)(=O)O.CN1C[C@@H](CC2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O
Molecular Formula:
C34H41N5O8S
Molecular Weight:
679.783
Log P:
2.8705
Hydrogen Bond Acceptor:
12
Hydrogen Bond Donor:
4
TPSA:
180.96
CAS Number(s):
6190-39-2; 11032-41-0; 910882-41-6
Synonym(s)
1.
Dihydroergotoxine
2.
Co-Dergocrine
3.
Ergot Alkaloids, Hydrogenated
4.
Dihydroergotoxin
5.
Alkaloids, Hydrogenated Ergot
6.
Hydrogenated Ergot Alkaloids
External Link(s)
MeSHD004088
PubChem Compound6420006
CHEMBLCHEMBL1396675
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Cerebral Infarction8835608CTD
2Edema618778CTD
3Hyperemia618778CTD
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