Trimegestone

TRIMEBUTINEMALEATE · RU 27987 · TRIMEGESTONE · Trimegestone-C13-D3 · Trimegestone USP/EP/BP · 74513-62-5 Trimegestone · 17β-[(S)-2-Hydroxy-1-oxopropyl]-17α-methylestra-4,9-dien-3-one · Estra-4,9-dien-3-one,17-[(2S)-2-hydroxy-1-oxopropyl]-17-Methyl-, (17b)-

https://huagongshe.com/de/chemical/68926

Identifikatoren & physikalische Daten

CAS No.	74513-62-5
Summenformel	C22H30O3
Durchschnittliche Molmasse	342,5 g/mol
Monoisotopische Masse	342,21949481 g/mol
SMILES	C[C@H](O)C(=O)[C@@]1(C)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3CC[C@@]21C
InChIKey	JUNDJWOLDSCTFK-MTZCLOFQSA-N
PubChem CID	68926
ChEMBL	CHEMBL2104765
ChEBI	CHEBI:136027
EC No.	662-727-5
DTXSID	DTXSID201317995

Chemische & physikalische Eigenschaften

XLogP	2,6
Polarare Oberfläche (TPSA)	54,4
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	2
Schwere Atome	25
Formalladung	0
Komplexität	700
Arzneimittel	Pharmaceuticals -> Listed in ZINC15
Endocrine Disruptors	Potential endocrine disrupting compound
Siedepunkt	522.6±50.0 °C(Predicted)
Dichte	1.16±0.1 g/cm3(Predicted)
pKa (Säurekonstante)	13.04±0.20(Predicted)
Aggregatzustand	Solid
CAS Datenbank	74513-62-5

Sicherheit & Vorschriften

GHS-Einstufung	WarningH319 (95%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard Classes and Categories	Eye Irrit. 2 (95%)
Alarmwort	Warnung
Gefahrenhinweise	Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H319

Anwendungen & Verwendung

Verwenden

Trimegestone causes an increased risk for uterine sarcomas and endometrial cancers with prolonged use. Used in hormone replacement therapies and the treatment of post-menopausal diseases.