HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3β-Hydroxyandrost-5-en-17-onacetat
PRASTERONE ACETATE · 3β-Acetoxyandrost-5-en-17-one · DEHYDROISOANDROSTERONE ACETATE · DEHYDROISOANDROSTERONE 3-ACETATE · 3b-Hydroxy-5-androstene-17-one acetate · 3-β-acetoxy-5-androsten-17-one · 3BETA-ACETOXY-5-ANDROSTEN-17-ONE · DHEA Acetate (Prasterone acetate)
Identifikatoren & physikalische Daten
| CAS No. | 853-23-6 |
|---|---|
| Summenformel | C21H30O3 |
| Durchschnittliche Molmasse | 330,5 g/mol |
| Monoisotopische Masse | 330,21949481 g/mol |
| SMILES | CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]32)C1 |
| InChIKey | NCMZQTLCXHGLOK-ZKHIMWLXSA-N |
| PubChem CID | 14709 |
| ChEMBL | CHEMBL1480686 |
| ChEBI | CHEBI:135410 |
| EC No. | 212-714-1 |
| DTXSID | DTXSID3020380 |
| Lokaler Name | 3β-Hydroxyandrost-5-en-17-onacetat |
Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 24 |
| Formalladung | 0 |
| Komplexität | 606 |
| Schmelzpunkt | 168-170 °C(lit.) |
| Siedepunkt | 407.89°C (rough estimate) |
| Dichte | 1.0998 (rough estimate) |
| Dampfdruck | 0Pa at 20℃ |
| Brechungsindex | 1.5192 (estimate) |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | Chloroform, DMSO (Slightly), Methanol (Slightly)11.5mg/L(temperature not stated) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| InChI | InChI=1/C21H30O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h4,15-18H,5-12H2,1-3H3/t15-,16-,17-,18-,20-,21-/s3 |
| InChIKey | NCMZQTLCXHGLOK-KJBVPOJVSA-N |
| SMILES | C[C@]12CC[C@H](OC(=O)C)CC1=CC[C@@]1([H])[C@]3([H])CCC(=O)[C@@]3(C)CC[C@]21[H] |&1:1,4,13,15,21,25,r| |
| LogP (Verteilungskoeffizient) | 5.1 at 20℃ |
| CAS Datenbank | 853-23-6 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (75%): Harmful in contact with skin [Warning Acute toxicity, dermal]H332 (75%): Harmful if inhaled [Warning Acute toxicity, inhalation]H351 (79.2%): Suspected of causing cancer [Warning Carcinogenicity]H360 (16.7%): May damage fertility or the unborn child [Danger Reproductive toxicity]H361 (79.2%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]P203, P261, 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 24 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 12-04-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/27602 |
| Hazard Classes and Categories | Acute Tox. 4 (75%)Carc. 2 (79.2%)Repr. 1B (16.7%)Repr. 2 (79.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| RTECS-Nr. | BV8396810 |
| Sicherheitshinweise (S) | 22-24/25 |
Anwendungen & Verwendung
Verwenden
A metabolite of Dehydroepiandrosterone. This mammalian pro-hormone promotes brain and immune function