Mestranol; norethynodrel
Basic information
- CAS
8015-30-3- Standard SMILES
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C.C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C- InChIKey
YEXIOUZEXADMJW-HHWOBMLOSA-N- Molecular formula
- C41H52O4
- Average molar mass
- 608.8 g/mol
- Monoisotopic mass
- 608.38656014
Overview
See also: Mestranol (has component); Norethynodrel (has component).
Names & identifiers
- Preferred name
- Mestranol; norethynodrel
- IUPAC
- (8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one;(8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
- English name
- Infecundin
- Molecular formula
- C21H26O2.C20H26O2
- Molecular weight
- 608.858
Names & synonyms
ENOVID-E 21MESTRANOL; NORETHYNODRELRefChem:584488015-30-3ConovidSequelanSesquelanEnovid-RNorethynodrel-mestranolmestranol/norethynodrelEthinylestradiol 3-methyl ether and norethynodrel (1:50)Norethynodrel and ethinylestradiol 3-methyl ether (50:1)
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Mixture with mestranol
SCHEMBL3041512017alpha-Hydroxy-19-norpregn-5(10)-en-20-yn-3-one mixt. with (17alpha)-3-methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-olQ6822155
Database identifiers
- CAS
8015-30-3- PubChem CID
- 66444
Properties
Computed structural properties
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,130
Experimental & physicochemical properties
Human DrugsFDA approved drugs -> Active ingredient
Physicochemical properties
- CAS DataBase Reference
- 8015 · 8015-30-3
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Related reactions
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Compound notes
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