Androsta-1,4-dien-3,17-dion

Boldione · 1,4-ANDROSTADIENEDIONE · ANDROSTADIENEDIONE · 1,4-ANDROSTADIENE-3,17-DIONE · 10,13-DIMETHYL-7,8,9,11,12,14,15,16-OCTAHYDRO-6H-CYCLOPENTA[A]PHENANTHRENE-3,17-DIONE · 10,13-DIMETHYL-7,8,9,10,11,12,13,14,15,16-DECAHYDRO-3H-CYCLOPENTA[A]PHENANTHRENE-3,17(6H)-DIONE · (8R,9S,10R,13S,14S)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione · (8R,9S,10R,13S,14S)-10,13-dimethyl-7,8,9,10,11,12,13,14,15,16-decahydro-3H-cyclopenta[a]phenanthrene-3,17(6H)-dione

https://huagongshe.com/de/chemical/13472

Molekülstruktur von Androsta-1,4-dien-3,17-dion

Identifikatoren & physikalische Daten

CAS No.	897-06-3
Summenformel	C19H24O2
Durchschnittliche Molmasse	284,4 g/mol
Monoisotopische Masse	284,17763001 g/mol
SMILES	C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
InChIKey	LUJVUUWNAPIQQI-QAGGRKNESA-N
PubChem CID	13472
ChEMBL	CHEMBL1078534
ChEBI	CHEBI:40799
EC No.	212-977-2
DTXSID	DTXSID00862463
Lokaler Name	Androsta-1,4-dien-3,17-dion

Chemische & physikalische Eigenschaften

XLogP	3
Polarare Oberfläche (TPSA)	34,1
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	0
Schwere Atome	21
Formalladung	0
Komplexität	584
Arzneimittel	DEA Schedule III Controlled Substance -> Anabolic steroidsPharmaceuticals -> Listed in ZINC15Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
SpringerMaterials Properties	Chemical shift
Human Drugs	Pharmaceuticals
Endocrine Disruptors	Potential endocrine disrupting compound
Physical Description	Solid
Collision Cross Section	166.5 Å² [M+H]+ [CCS Type: TW]160.21 Å² [M+H-H2O]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]168.4 Å² [M+H]+ [CCS Type: TW
Schmelzpunkt	138-139 °C(lit.)
Siedepunkt	434.2±45.0 °C(Predicted)
Dichte	1.14±0.1 g/cm3(Predicted)
Dampfdruck	0Pa at 20℃
Lagerbedingungen	Refrigerator
Löslichkeit	DMF: 50 mg/mlDMF:PBS(pH 7.2)(1:1): 0.5 mg/mlDMSO: 30 mg/mlEthanol: 5 mg/ml430mg/L at 20℃
Aggregatzustand	A crystalline solid
Hauptanwendungen	pharmaceutical
InChI	1S/C19H24O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
InChIKey	LUJVUUWNAPIQQI-QAGGRKNESA-N
SMILES	[H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]4(C)C(=O)CC[C@@]24[H]
LogP (Verteilungskoeffizient)	2.2 at 25℃
CAS Datenbank	897-06-3(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH302 (35%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P260, P263, P264, P270, P273, P280, P301+P317, P318, P319, P330, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 20 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	DEA schedule III controlled substanceStatus: Active Update: 15-03-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19098
Hazard Classes and Categories	Acute Tox. 4 (35%)
Wassergefährdungsklasse (WGK)	3
Zollcode	29372900
RTECS-Nr.	BV7988000
R-Sätze (R)	20/21/22-36/37/38
Gefahrensymbole	Xn
Sicherheitshinweise (S)	26-36
Lagerklasse	6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Gefahrenklasse	Aquatic Chronic 2Carc. 2Lact.Repr. 1B
DEA Controlled Substances	CSCN: 4000CAS SCH: ⅢNARC: N

Anwendungen & Verwendung

Beschreibung

Androsta-1,4-diene-3,17-dione (Item No. 24081) is an analytical reference standard categorized as an anabolic androgenic steroid. Androsta-1,4-diene-3,17-dione is a precursor in the synthesis of boldenone and has been used to enhance athletic performance. Androsta-1,4-diene-3,17-dione is regulated as a Schedule III compound in the United States. This product is intended for research and forensic applications.

Verwenden

Boldenone related steroid; anabolic androgenic steroid