Epiandrosterone

Identifikatoren & physikalische Daten

CAS No.	481-29-8
Summenformel	C19H30O2
Durchschnittliche Molmasse	290,4 g/mol
Monoisotopische Masse	290,2245802 g/mol
SMILES	C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
InChIKey	QGXBDMJGAMFCBF-LUJOEAJASA-N
PubChem CID	441302
ChEMBL	CHEMBL272195
ChEBI	CHEBI:541975
EC No.	207-563-3
DTXSID	DTXSID20289698

XLogP	3,7
Polarare Oberfläche (TPSA)	37,3
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	0
Schwere Atome	21
Formalladung	0
Komplexität	458
Lipide	Lipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C19 steroids (androgens) and derivatives [ST0202]
SpringerMaterials Properties	Chemical shift
Human Drugs	Pharmaceuticals
Endocrine Disruptors	Potential endocrine disrupting compound
Collision Cross Section	162.76 Å² [M+H-H2O]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]

GHS-Einstufung	WarningH302 (39.1%): Harmful if swallowed [Warning Acute toxicity, oral]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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Status: Active Update: 23-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/11686Androstan-17-one, 3-hydroxy-, (3.beta.,5.alpha.)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Acute Tox. 4 (39.1%)