Grundinformationen
- CAS
1778-02-5- Standard-SMILES
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1- InChIKey
CRRKVZVYZQXICQ-RJJCNJEVSA-N- Summenformel
- C23H34O3
- Durchschnittliche Molmasse
- 358,5 g/mol
- Monoisotopische Masse
- 358,25079494
Überblick
Pregnenolone acetate is a steroid ester.
Namen und Bezeichner
- Bevorzugter Name
- Pregnenolone Acetate
- IUPAC
- [(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
- Lokaler Name
- Pregnenolonacetat
- Englischer Name
- Pregnenolone acetate
- Summenformel
- C23H34O3
- Molmasse
- 358.51
Namen und Synonyme
PREGNENOLONE ACETATE1778-02-50G0WWV404B3beta-Hydroxypregn-5-en-20-one acetateEINECS 217-212-6PREGNENOLONE ACETATE [MI]NSC 64827NSC-64827PREGNENOLONE ACETATE [WHO-DD](1S,3aS,3bS,7S,9aR,9bS,11aS)-1-acetyl-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl acetate(1S,3aS,3bS,7S,9aR,9bS,11aS)-1-acetyl-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta(a)phenanthren-7-yl acetateRefChem:868472
Weitere Namen anzeigen
EnescorbSharmonePrevisoneACETOXYPREGNENOLONEPregenolone acetateprognenolone acetate5-Pregnenolone acetate
PREGNENOLONE ACETATE [INCI]217-212-6Antofin3beta-Acetoxy-5-pregnene-20-onePregn-5-en-20-one, 3-(acetyloxy)-, (3beta)-5-Pregnen-3beta-ol-20-one acetateMFCD00003627Artivis
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,8
- Polarare Oberfläche (TPSA)
- 43,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 26
- Formalladung
- 0
- Komplexität
- 650
Experimentelle und physikochemische Eigenschaften
CosmeticsSkin conditioning
Endocrine DisruptorsPotential endocrine disrupting compound
Physikochemische Eigenschaften
- Schmelzpunkt
- 149 · 149-152 °C(lit.)
- Siedepunkt
- 430.93 °C · 430.93°C (rough estimate)
- Dichte
- 1.0816 · 1.0816 (rough estimate)
- Brechungsindex
- 1.47 · 1.4700 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform (Slightly), Ethanol (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- Farbe
- White
- Merck
- 14 · 14,7733
- BRN
- 2062850 · 2062850
- Kosmetik-Inhaltsstoffe Funktionen
- SKIN CONDITIONING
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
Warning
H302 (90%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P261, P263, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 20 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationREACH registered substance: Pregnenolone acetate (EC: 217-212-6)
Hazard Classes and CategoriesAcute Tox. 4 (90%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29153900
- safety_code
- 22-24/25
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
Household ProductsInformation on 1 consumer products that contain Pregnenolone acetate in the following categories is provided:
Use ClassificationCosmetics -> Skin conditioning
Anwendungen
VerwendenPregnenolone acetate is an intermediate in the synthesis of progesterone. It is uses as a glucocorticoid and as a skin-conditioning and skin anti-aging agent. It acts as a signaling-specific inhibitor of cannabinoid CB1 receptor, inhibits the effects of tetrahydrocannabinol (THC) that are mediated by the CB1 receptors. It has also been shown to stimulate locomotor activity and neuronal function in rats.
Darstellung
synthetischePregnenolone acetate can be prepared by catalytic hydrogenation (16-position double bond) of 16-Dehydropregnenolone acetate.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
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梯希爱(上海)化成工业发展有限公司
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