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CAS No.: | 97682-44-5 |
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Name: | Irinotecan |
Article Data: | 32 |
Molecular Structure: | |
Formula: | C33H38N4O6 |
Molecular Weight: | 586.688 |
Synonyms: | [1,4'-Bipiperidine]-1'-carboxylic acid,(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-yl ester;(+)-Irinotecan;Irinotecan base;Irinotecanum [INN-Latin];Irrotecan hydrochloride;1,4'-bipiperidine-1'-carboxylic acid (s)-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;Irinotecan HCL;Irinotecan(TECANS); |
EINECS: | 691-567-9 |
Density: | 1.4 g/cm3 |
Melting Point: | 222-223° |
Boiling Point: | 873.4 °C at 760 mmHg |
Flash Point: | 482 °C |
Solubility: | soluble in water |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 114.20000 |
LogP: | 3.96690 |
1. Introduction of Irinotecan
Irinotecan is white crystalline powder. The Systematic (IUPAC) name of this chemical is (S)-4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo1H-pyrano[3’,4’:6,7]-indolizino[1,2-b]quinolin-9-yl-[1,4’bipiperidine]-1’-carboxylate. Besides, Irinotecan belongs to Camptothecin series;APIs;Natural Anti-cancer Medical Materials and It's Derivatives;API's;API. In addition, the Classification Code of Irinotecan is Antineoplastic Agents; Antineoplastic Agents, Phytogenic; Enzyme Inhibitors. Irinotecan can soluble in water.
2. Properties of Irinotecan
Physical properties about Irinotecan are:
(1)Index of Refraction: 1.689; (2)Molar Refractivity: 159.15 cm3; (3)Molar Volume: 416.8 cm3; (4)Polarizability: 63.09×10-24 cm3; (5)Surface Tension: 74.2 dyne/cm; (6)Density: 1.4 g/cm3; (7)Flash Point: 482 °C; (8)Enthalpy of Vaporization: 132.98 kJ/mol; (9)Boiling Point: 873.4 °C at 760 mmHg; (10)Vapour Pressure: 1.31E-32 mmHg at 25°C.
3. Structure Descriptors of Irinotecan
(1)Canonical SMILES: CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC5=C(C4=O)COC(=O)C5(CC)O)OC(=O)N6CCC(CC6)N7CCCCC7
(2)Isomeric SMILES: CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC5=C(C4=O)COC(=O)[C@@]5(CC)O)OC(=O)N6CCC(CC6)N7CCCCC7
(3)InChI: InChI=1S/C33H38N4O6/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3/t33-/m0/s1
(4)InChIKey: UWKQSNNFCGGAFS-XIFFEERXSA-N
4. Safety information of Irinotecan
Hazard Codes: Xn
Risk Statements: 22
R22: Harmful if swallowed.
RTECS: DW1061000
5. Uses of Irinotecan
Irinotecan is a drug used for the treatment of cancer. Its main use is in colon cancer, particularly in combination with other chemotherapy agents. This includes the regimen FOLFIRI which consists of infusional 5-fluorouracil, leucovorin, and irinotecan. Irinotecan is a semisynthetic analogue of the natural alkaloid camptothecin. The most significant adverse effects of irinotecan (CAS NO.97682-44-5) are severe diarrhea and extreme suppression of the immune system.
6. Production of Irinotecan
Camptothecin, as raw material, can be used to manufacture Irinotecan.