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Basic information

  • Name:
  • Irinotecan

  • CAS No.:
  • 97682-44-5

  • Molecular Structure:
  • Formula:
  • C33H38N4O6
  • Molecular Weight:
  • 586.69
  • 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);
  • Density:
  • 1.4 g/cm3
  • Boiling Point:
  • 873.4 °C at 760 mmHg
  • Flash Point:
  • 482 °C
  • Solubility:
  • soluble in water
  • Hazard Symbols:
  • HarmfulXn
  • Risk Codes:
  • 22

Famous Chemical Enterprises

  • Livzon
  • Total
  • Shell
  • Dupont
  • Exxonmobil
  • Akzonobel
  • Basf
  • Bayer
  • BP

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Chemistry

Molecular formula: C33H38N4O6
Molecular Weight: 586.678g/mol 
Structure of Irinotecan (CAS NO.97682-44-5):

           
Index of Refraction: 1.689
Molar Refractivity: 159.15 cm3
Molar Volume: 416.8 cm3
Polarizability: 63.09×10-24cm3
Surface Tension: 74.2 dyne/cm
Density: 1.4 g/cm3
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: Camptothecin series;APIs;Natural Anti-cancer Medical Materials and It's Derivatives;API's 
Canonical SMILES: CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC5=C(C4=O)COC(=O)C5(CC)O)OC(=O)N6CCC(CC6)N7CCCCC7
Isomeric SMILES: CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC5=C(C4=O)COC(=O)[C@@]5(CC)O)OC(=O)N6CCC(CC6)N7CCCCC7
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
InChIKey: UWKQSNNFCGGAFS-XIFFEERXSA-N

Uses

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.

Safety Profile

Hazard Codes: HarmfulXn
Risk Statements: 22 
R22:Harmful if swallowed.
RTECS: DW1061000

Specification

  Irinotecan , its cas register number is 97682-44-5. It also can be called (+)-Irinotecan ; Camptosar ; HSDB 7607 ;
 Irinotecan ; Irinotecanum ; Irinotecanum [INN-Latin] ; UNII-7673326042 .The most significant adverse effects of irinotecan  (CAS NO.97682-44-5) are severe diarrhea and extreme suppression of the immune system.

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