Grundinformationen
- CAS
17308-02-0- Standard-SMILES
CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C- InChIKey
VTHUYJIXSMGYOQ-KOORYGTMSA-N- Summenformel
- C23H32O4
- Durchschnittliche Molmasse
- 372,5 g/mol
- Monoisotopische Masse
- 372,2300595
Überblick
Hydroxyprogesterone acetate is a corticosteroid hormone.
Namen und Bezeichner
- Bevorzugter Name
- Hydroxyprogesterone acetate
- IUPAC
- [(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
- Lokaler Name
- 3,20-Dioxopregn-4-en-17-β-ylacetat
- Englischer Name
- 3,20-Dioxopregn-4-en-17-beta-yl acetate
- Summenformel
- C23H32O4
- Molmasse
- 372.51
Namen und Synonyme
302-23-8HYDROXYPROGESTERONE ACETATE17alpha-AcetoxyprogesteronePregn-4-ene-3,20-dione, 17-(acetyloxy)-Prodox acetateAcetoxyprogesterone17-Hydroxypregn-4-ene-3,20-dione acetate17.alpha.-AcetoxyprogesteroneL124O66YSI17-AcetoxyprogesteroneDTXSID90894096U 5533
Weitere Namen anzeigen
17ALPHA-HYDROXYPROGESTERONE ACETATEAcetoxyproEinecs 241-337-53,20-Dioxopregn-4-en17-HYDROXYPROGESTERONE ACETATE4-PREGNEN-17-OL-3,20-DIONE ACETATE3,20-dioxopregn-4-en-17-β-yl acetate17ALPHA-ACETOXY-4-PREGNENE-3,20-DIONE
U-5533EINECS 206-119-6NSC 12191NSC-1219117-Hydroxyprogesterone 17alpha-acetate17-(Acetyloxy)pregn-4-ene-3,20-dione17-AP17alpha-Acetoxypregnen-4-en-3,20-dion
Datenbank-Bezeichner
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,7
- Polarare Oberfläche (TPSA)
- 60,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 27
- Formalladung
- 0
- Komplexität
- 737
Experimentelle und physikochemische Eigenschaften
LogP3.79
Human DrugsPharmaceuticals
Endocrine DisruptorsPotential endocrine disrupting compound
Physikochemische Eigenschaften
- Schmelzpunkt
- 198 °C · 198 °C
- Siedepunkt
- 490.2 · 490.2±45.0 °C(Predicted)
- Dichte
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- InChI
- InChI=1/C23H32O4/c1-14(24)23(27-15(2)25)12-9-20-18-6-5-16-13-17(26)7-10-21(16,3)19(18)8-11-22(20,23)4/h13,18-20H,5-12H2,1-4H3/t18-,19+,20+,21+,22+,23-/s3
- InChIKey
- VTHUYJIXSMGYOQ-NCZDLRRGNA-N
- SMILES
- O([C@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(=O)C)C(=O)C |&1:1,4,6,16,18,22,r|
- CAS Datenbank
- 17308 · 17308-02-0(CAS DataBase Reference)
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
H351 (98.1%): Suspected of causing cancer [Warning Carcinogenicity]
P203, P260, P263, P264, P270, P273, P280, P318, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 04-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/13269
Hazard Classes and CategoriesCarc. 2 (98.1%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 2
- RTECS-Nr.
- TU5074000
- risk_code
- 40-48
- hazard_code
- Xn
- safety_code
- 22-24/25-45
Chemie und Industrie
Verwendung und Herstellung
Use ClassificationPharmaceuticals
Anwendungen
Verwenden3,20-Dioxopregn-4-en-17-beta-yl acetate, also known as 17-Hydroxyprogesterone acetate, is a new steroid for oral administration. It has a progestational activity which is at least twice that of anhydrohydroxyprogesterone[1].
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter22 Anbieter
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Nanjing Shizhou Biotechnology Co., Ltd+86-15850508050 · [email protected]
上海亚毓生物医药有限公司021-54370211 18051886391 · [email protected]
南京世洲生物科技有限公司025-0258556344 17301488900 · [email protected]
Zugehörige Reaktionen
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Notizen zur Verbindung
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