Name: Irinotecan hydrochloride trihydrate
SKU: 136572-09-3

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Basic Information

Molecular Structure:
CAS No.:	136572-09-3
Name:	Irinotecan hydrochloride trihydrate
Article Data:	2

Formula:	C₃₃H₄₅ClN₄O₉
Molecular Weight:	677.195
Synonyms:	[1,4'-Bipiperidine]-1'-carboxylicacid,(4S)-4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-ylester, monohydrochloride, trihydrate (9CI);[1,4'-Bipiperidine]-1'-carboxylicacid,4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-ylester, monohydrochloride, trihydrate, (S)-;Irinotecan hydrochloridehydrate;
EINECS:	603-967-2
Density:	==
Melting Point:	250-256 °C (dec.)
Boiling Point:	873.4 °C at 760 mmHg
Flash Point:	482 °C
Solubility:	Soluble in DMSO at 100mg/ml. Soluble in water at 25mg/ml with warming
Appearance:	Pale yellow to yellow crystalline powder
Risk Codes:	22
Safety:	20/21-22
PSA:	141.89000
LogP:	4.57600

Synthetic route

: 100286-90-6
irinotecan hydrochloirde

: 136572-09-3
irinotecan hydrochloride trihydrate

Conditions

Conditions	Yield
With hydrogenchloride; water In ethanol at 75 - 80℃;	87%
With water In ethanol Heating / reflux;

Raw Materials

100286-90-6

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Chemistry

Molecular structure of Irinotecan hydrochloride trihydrate (CAS NO.136572-09-3) is:

Product Name: Irinotecan hydrochloride trihydrate
CAS Registry Number: 136572-09-3
Molecular Weight: 677.1848 [g/mol]
Molecular Formula: C₃₃H₄₅ClN₄O₉
H-Bond Donor: 5
H-Bond Acceptor: 11
Melting Point: 250-256 °C (dec.)
Flash Point: 482 °C
Enthalpy of Vaporization: 132.98 kJ/mol
Boiling Point: 873.4 °C at 760 mmHg
Vapour Pressure: 1.31E-32 mmHg at 25°C
Product Categories: API

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
dog	LD50	intravenous	40mg/kg (40mg/kg)	Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 26, Pg. 953, 1995.
mouse	LD50	intravenous	132mg/kg (132mg/kg)	Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 26, Pg. 953, 1995.
mouse	LD50	oral	1045mg/kg (1045mg/kg)	Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 26, Pg. 953, 1995.
rat	LD50	intravenous	83600ug/kg (83.6mg/kg)	Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 26, Pg. 953, 1995.
rat	LD50	oral	867mg/kg (867mg/kg)	Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 26, Pg. 953, 1995.

Safety Profile

A poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NO_x, HCl, and Cl⁻.

Specification

Irinotecan hydrochloride trihydrate , its cas register number is 136572-09-3. It also can be called (S)-[1,4'-Bipiperidine]-1'-carboxylic acid 4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl ester hydrochloride trihydrate ; Irinotecan hydrochloride [USAN:JAN] ; (+)-7-Ethyl-10-hydroxycamptothecine 10-(1,4'-bipiperidine)-1'-carboxylate, monohydrochloride, trihydrate ; Camptosar ; Irinotecan HCl ; (1,4'-Bipiperidine)-1'-carboxylic acid, 4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinolin-9-yl ester, monohydrochloride, trihydrate, (S)- .