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Irinotecan

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Irinotecan

EINECS 691-567-9
CAS No. 97682-44-5 Density 1.4 g/cm3
PSA 114.20000 LogP 3.96690
Solubility soluble in water Melting Point 222-223°
Formula C33H38N4O6 Boiling Point 873.4 °C at 760 mmHg
Molecular Weight 586.688 Flash Point 482 °C
Transport Information N/A Appearance N/A
Safety Risk Codes 22
Molecular Structure Molecular Structure of 97682-44-5 (Irinotecan) Hazard Symbols HarmfulXn
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);

Article Data 32

Irinotecan Specification

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: HarmfulXn
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.

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