MetaADEDB 2.0 @ LMMD
[(3Z,8R,9S,10R,13S,14S,17R)-13-Ethyl-17-ethynyl-3-hydroxyimino-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate;(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
(GYMWQLRSSDFGEQ-NUUMTPOZSA-N)
Structure
SMILES
C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)O.O/N=C\1/CC[C@H]2C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(C#C)OC(=O)C)CC
Molecular Formula:
C43H55NO5
Molecular Weight:
665.901
Log P:
8.3271
Hydrogen Bond Acceptor:
6
Hydrogen Bond Donor:
3
TPSA:
99.35
CAS Number(s):
N/A
Synonym(s)
1.
[(3Z,8R,9S,10R,13S,14S,17R)-13-Ethyl-17-ethynyl-3-hydroxyimino-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate;(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
External Link(s)
PubChem Compound5463980
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Incorrect dose administeredFAERS: 1US FAERS
2MenorrhagiaFAERS: 1US FAERS
3Pulmonary EmbolismFAERS: 1US FAERS
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