Norethisteronacetat
Norethisterone Acetate
Grundinformationen
- CAS
51-98-9- Standard-SMILES
C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C- InChIKey
IMONTRJLAWHYGT-ZCPXKWAGSA-N- Summenformel
- C22H28O3
- Durchschnittliche Molmasse
- 340,5 g/mol
- Monoisotopische Masse
- 340,20384475
Überblick
Norethisterone Acetate (Norethindrone Acetate) can cause developmental toxicity according to state or federal government labeling requirements.
Namen und Bezeichner
- Bevorzugter Name
- Norethisterone Acetate
- IUPAC
- [(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
- Lokaler Name
- Norethisteronacetat
- Englischer Name
- 19-Norethindrone acetate
- Summenformel
- C22H28O3
- Molmasse
- 340.46
Namen und Synonyme
Norethindrone acetateNorethisterone acetate51-98-919-Norethindrone acetateNorlutin acetateENTANorethisteron acetate19-Norethisterone acetateNorethindrone 17-acetate19-Norethynyltestosterone acetate(17-alpha)-Norethindrone acetateNorethynyltestosterone
Weitere Namen anzeigen
Aygestinsh42017-EntSH 420SH-420COrlutateprogylut
17alpha-Ethynyl-19-nortestosterone acetateDTXSID4023381Norethisterone 17-acetate17-alpha-Ethinyl-19-nortestosterone acetate17-alpha-Ethynyl-19-nortestosterone acetate9S44LIC7OJNorethindrone acetate [USP]NSC-22844
Datenbank-Bezeichner
- CAS
51-98-9- PubChem CID
- 5832
- DTXSID
DTXSID4023381
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,5
- Polarare Oberfläche (TPSA)
- 43,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 25
- Formalladung
- 0
- Komplexität
- 695
Experimentelle und physikochemische Eigenschaften
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Pharmaceuticals
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section186.3 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physikochemische Eigenschaften
- Schmelzpunkt
- 161 · 161-162°
- Siedepunkt
- 416.25 °C · 416.25°C (rough estimate)
- Dichte
- 1.1236 · 1.1236 (rough estimate)
- Brechungsindex
- -34 ° · -34 ° (C=1, Dioxane)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Practically insoluble in water, freely soluble in methylene chloride, soluble in alcohol.
- Aggregatzustand
- Solid
- Farbe
- 2 CO/hexane · Crystals from Me2CO/hexane
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H302 (16.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P261, P263, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 115 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationHazard Traits - Developmental Toxicity
Other Safety InformationIMAP assessments - 19-Norpregn-4-en-20-yn-3-one, 17-(acetyloxy)-, (17.alpha.)-: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (16.5%)
Toxikologische Informationen
Treatment
The treatment of choice for S. aureus infection is penicillin, but in most countries, penicillin-resistance is extremely common and first-line therapy is most commonly a penicillinase-resistant penicillin (for example, oxacillin or flucloxacillin). Combination therapy with gentamicin may be used to treat serious infections like endocarditis, but its use is controversial because of the high risk of damage to the kidneys. The duration of treatment depends on the site of infection and on severity. (L1773)
Health EffectsEnterotoxins are cytotoxic. (L1780)
Exposure Routes
Chemie und Industrie
Pharmakologische Informationen
Metabolism/Metabolites
Free toxin may be removed by opsonization via the reticuloendothelial system (primarily the liver and kidneys) or it may be degraded through cellular internalization via the lysosomes. Lysosomes are membrane-enclosed organelles that contain an array of digestive enzymes, including several proteases.
FDA Pharmacological Classification
NORETHINDRONE ACETATE
Progestin [EPC]; Progesterone Congeners [CS]
MeSH Pharmacological Classification
Chemical substances or agents with contraceptive activity in females. Use for female contraceptive agents in general or for which there is no specific heading.
Contraceptive agents that act on the ENDOCRINE SYSTEM.
Verwendung und Herstellung
UsesEnterotoxin type A is one of many enterotoxins produced by Staphylococcus aureus. (L1780)
Use ClassificationPharmaceuticals
Anwendungen
VerwendenProgesteron. Norethindrone and acetate in combination with estrogen as contraceptive (oral). It is reasonably anticipated to be a human carcinogen.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
4
Notizen zur Verbindung
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