Grundinformationen
- Standard-SMILES
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21C- InChIKey
GVDMJXQHPUYPHP-FYQPLNBISA-N- Summenformel
- C20H22O2
- Durchschnittliche Molmasse
- 294,4 g/mol
- Monoisotopische Masse
- 294,16197994
Überblick
Norgestrienone is a steroid. It has a role as an estrogen.
Namen und Bezeichner
- Bevorzugter Name
- Norgestrienone
- IUPAC
- (8S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
- Lokaler Name
- Norgestrienon
- Englischer Name
- 17-Hydroxy-19-nor-17alpha-pregna-4,9,11-trien-20-yn-3-one
- Summenformel
- C20H22O2
- Molmasse
- 294.39
Namen und Synonyme
NORGESTRIENONE848-21-5NorgestrienonaNorgestrienonum17-Hydroxy-19-nor-17alpha-pregna-4,9,11-trien-20-yn-3-one89386PYU9ONSC-101105DTXSID30878491A301A 301RefChem:166619G03AC07
Weitere Namen anzeigen
R-2010RU-2010Ogyline(17R)-17-Hydroxy-19-norpregna-4,9,11-trien-20-yn-3-one19-Norpregna-4,9,11-trien-20-yn-3-one, 17-hydroxy-, (17α)-17-Hydroxy-19-nor-17alpha-pregna-4,9,11-trien-20-yn-3-one USP/EP/BP
DTXCID00101653719-Norpregna-4,9,11-trien-20-yn-3-one, 17-hydroxy-, (17alpha)-(1R,3aS,3bS,11aS)-1-ethynyl-1-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,11aH-cyclopenta(a)phenanthren-7-one212-698-6Ethynyl trienolone(8S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-oneNorgestrienone (INN)Planor
Datenbank-Bezeichner
- CAS
848-21-5- PubChem CID
- 13313
- DTXSID
DTXSID30878491- ChEMBL
CHEMBL1908319- ChEBI
CHEBI:135231- UNII
- 89386PYU9O
- EC Number
- 212-698-6
- Nikkaji
- J7.140D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,8
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 698
Experimentelle und physikochemische Eigenschaften
Endocrine DisruptorsPotential endocrine disrupting compound
Physikochemische Eigenschaften
- Schmelzpunkt
- 169 ° · 169°
- Siedepunkt
- 376.15 °C · 376.15°C (rough estimate)
- Dichte
- 1.1129 · 1.1129 (rough estimate)
- Brechungsindex
- 1.48 · 1.4800 (estimate)
- pka
- 12.76 · 12.76±0.40(Predicted)
- Farbe
- Pale-yellow needles from diisopropyl ether
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Chemie und Industrie
Pharmakologische Informationen
ATC Code
G - Genito urinary system and sex hormones
QG - Genito urinary system and sex hormones
MeSH Pharmacological ClassificationOral contraceptives which owe their effectiveness to synthetic preparations.
Anbieter5 Anbieter
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