17-Hydroxy-6-methyl-19-norpregna-4,6-dien-3,20-dion-17-acetat

NOMEGESTROL ACETATE · tx066 · NOMAC · CS-839 · Lutenyl · Surplant · Uniplant · Org 10486-0

Identifikatoren & physikalische Daten

CAS No.	58652-20-3
Summenformel	C23H30O4
Durchschnittliche Molmasse	370,5 g/mol
Monoisotopische Masse	370,21440943 g/mol
SMILES	CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C
InChIKey	IIVBFTNIGYRNQY-YQLZSBIMSA-N
PubChem CID	91668
ChEMBL	CHEMBL1476022
ChEBI	CHEBI:135564
EC No.	261-379-8
DTXSID	DTXSID90207349
Lokaler Name	17-Hydroxy-6-methyl-19-norpregna-4,6-dien-3,20-dion-17-acetat

XLogP	2,6
Polarare Oberfläche (TPSA)	60,4
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	3
Schwere Atome	27
Formalladung	0
Komplexität	775
Arzneimittel	Pharmaceuticals -> Listed in ZINC15
Human Drugs	EMA approved medicines: Human medicine
Endocrine Disruptors	Potential endocrine disrupting compound
Siedepunkt	507.3±50.0 °C(Predicted)
Dichte	1.16±0.1 g/cm3(Predicted)
Lagerbedingungen	2-8°C
Löslichkeit	DMSO: ≥7mg/mL
Aggregatzustand	powder
Farbe	white to tan
InChIKey	IIVBFTNIGYRNQY-YQLZSBIMSA-N
SMILES	C1(=O)C=C2[C@]([H])(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@](OC(C)=O)(C(=O)C)CC3)C=C2C
CAS Datenbank	58652-20-3(CAS DataBase Reference)

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 3% (2 of 66) of reports.DangerH360F (25.8%): May damage fertility [Danger Reproductive toxicity]P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 66 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Repr. 1A (25.8%)
Wassergefährdungsklasse (WGK)	3
UN-Transportnummer	UN 3077 9 / PGIII
RTECS-Nr.	RC8899200
R-Sätze (R)	63-50
Gefahrensymbole	N
Sicherheitshinweise (S)	61

Nomegestrol 17-acetate is a progetin used in implantable hormone replacement therapies.