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IRINOTECAN HCL TRIHYDRATE · Irinotecan HCI Trihydrate · Iriontecan HCL · Irinotecan HCL 3H2O · Irinotecan HydrochL · Irinotecan Trihydrate · CPT-11 HCl Trihydrate · Irinotecan Hydrochlorid

https://huagongshe.com/de/chemical/60837

Identifikatoren & physikalische Daten

CAS No.	136572-09-3
Summenformel	C33H45ClN4O9
Durchschnittliche Molmasse	677,2 g/mol
Monoisotopische Masse	676,2875067 g/mol
SMILES	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC.Cl.O.O.O
InChIKey	KLEAIHJJLUAXIQ-JDRGBKBRSA-N
PubChem CID	60837
ChEMBL	CHEMBL1200512
ChEBI	CHEBI:90881
DTXSID	DTXSID60929485

Chemische & physikalische Eigenschaften

Polarare Oberfläche (TPSA)	116
H-Brücken-Donoren	5
H-Brücken-Akzeptoren	11
Frei drehbare Bindungen	5
Schwere Atome	47
Formalladung	0
Komplexität	1.200
Human Drugs	Breast FeedingLactationMilk, HumanAntineoplastic AgentsEnzyme InhibitorsTopoisomerase I InhibitorsEMA approved medicines: Human medicine (Orphan designations)
Schmelzpunkt	250-256°C (dec.)
Siedepunkt	257°C(lit.)
Lagerbedingungen	2-8°C
Löslichkeit	Soluble in DMSO (up to 50 mg/ml), in Water (up to 4 mg/ml) or in Ethanol (up to 4 mg/ml).Soluble in DMSO at 100mg/ml. Soluble in water at 25mg/ml with warming
Aggregatzustand	White solid.
Farbe	Yellow
Merck	14,5091
Stabilität	Stable for 1 year from date of purchase as supplied. Solutions in DMSO, ethanol or distilled water may be stored at -20° for up to 3 months.
Hauptanwendungen	pharmaceutical (small molecule)
InChIKey	KLEAIHJJLUAXIQ-VRWBIZLENA-N
SMILES	N1(C2CCN(C(OC3C=CC4C(C=3)=C(CC)C3CN5C(C=3N=4)=CC3[C@](CC)(O)C(=O)OCC=3C5=O)=O)CC2)CCCCC1.[H]Cl.[H]O[H].[H]O[H].[H]O[H] \|&1:24,r\|
CAS Datenbank	136572-09-3(CAS DataBase Reference)

Sicherheit & Vorschriften

Effects During Pregnancy and Lactation	◉ Summary of Use during Lactation
Wassergefährdungsklasse (WGK)	WGK 3
Zollcode	29349990
RTECS-Nr.	DW1060750
R-Sätze (R)	22
Toxizität	dog,LD50,intravenous,40mg/kg (40mg/kg),Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 26, Pg. 953, 1995.
Sicherheitshinweise (S)	20/21-22
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Acute Tox. 4 Oral

Anwendungen & Verwendung

Verwenden

Irinotecan Hydrochloride Trihydrate is a DNA topoisomerase inhibitor.