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| CAS No.: | 136572-09-3 |
|---|---|
| Name: | Irinotecan hydrochloride trihydrate |
| Molecular Structure: | |
|
|
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| 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 |
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irinotecan hydrochloride trihydrate
| Conditions | Yield |
|---|---|
| With hydrogenchloride; water In ethanol at 75 - 80℃; | 87% |
| With water In ethanol Heating / reflux; |
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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) | Effect | 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 NOx, 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)- .