Levonorgestrel butyrate
[(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] butanoate
Molecular Identity
Levonorgestrel butyrate
[(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] butanoate
PubChem CID: 3086228
2D Structure
Properties
C25H34O3
Molecular Formula
382.50
Molecular Weight
g/mol
382.2508
Exact Mass
Da
4.7
XLogP
Drug-like (Lipinski: < 5)
43.4
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
3
H-Bond Acceptors
740
Complexity
SMILES
Canonical SMILES
SMILES: CCCC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34)CC)C#CIsomeric SMILES
SMILES: CCCC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)CC)C#CSynonyms(20)
Levonorgestrel butyrate86679-33-6Levonorgestrel butanoateEINECS 289-270-0L929CBB12613-Ethyl-17alpha-hydroxy-18,19-dinorpregn-4-en-20-yn-3-one butyrateDTXSID801166916(17alpha)-13-Ethyl-17-(1-oxobutoxy)-18,19-dinorpregn-4-en-20-yn-3-one13-ETHYL-17.ALPHA.-HYDROXY-18,19-DINORPREGN-4-EN-20-YN-3-ONE BUTYRATE18,19-DINORPREGN-4-EN-20-YN-3-ONE, 13-ETHYL-17-(1-OXOBUTOXY)-, (17.ALPHA.)-(8R,9S,10R,13S,14S,17R)-13-ETHYL-17-ETHYNYL-3-OXO-2,3,6,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA(A)PHENANTHREN-17-YL BUTYRATERefChem:799032DTXCID20159835118,19-DINORPREGN-4-EN-20-YN-3-ONE, 13-ETHYL-17-(1-OXOBUTOXY)-, (17ALPHA)-289-270-0
Data from PubChem (NCBI)
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