Irinotecan

Description

Irinotecan · CAS 97682-44-5 · C33H38N4O6. UNII 7673326042. Melting Point: 222-223 °C; Melting Point: 222 - 223 °C; Solubility: 1.07e-01 g/L.

Identification

CAS Registry Number	97682-44-5
PubChem CID	60838
Molecular formula	C33H38N4O6
IUPAC name	[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] 4-piperidin-1-ylpiperidine-1-carboxylate
UNII (FDA)	7673326042

Computed Descriptors

Molecular Weight	586.7
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	586.27913494
Monoisotopic Mass	586.27913494
Topological Polar Surface Area	113
Heavy Atom Count	43
Formal Charge	0

Physical & Chemical Properties

Melting Point	222-223 °C
Melting Point	222 - 223 °C
Solubility	1.07e-01 g/L
LogP	3.2
Dissociation Constants	10.9

Physical description & handling notes

• Solid
• Pale yellow powder
• Slightly pale yellow needles or crystalline powder from water, mp 256.6 °C. MW 677.18. Specific optical rotation: +67.7 deg at 20 °C/D ( c = 1 in water). UV max (ethanol): 221, 254, 359, 372 nm (epsilon 53800, 36600, 26200, 25300). Slightly soluble in water and organic solvents. pH of aqueous solution = 4. /Hydrochloride trihydrate/
• Pale yellow to yellow crystalline powder. MW: 677.19. Slightly soluble in water and organic solvents /Hydrochloride/
• Irinotecan is an antineoplastic agent. The administration of irinotecan has resulted in antitumor activity in mice bearing cancers of rodent origin and in human carcinoma xenografts of various histological types.
• Parenteral For injection, concentrate, for IV use only: 20 mg/mL (40 and 100 mg) Camptosar (Pfizer). /Ironotecan hydrochloride (trihydrate)/

GHS Hazard Classification

Reported hazard statements	H302 (100%), H315 (100%), H318 (100%), H361 (100%), H373 (100%)

Documented Uses

• ... /treatment of/ metastaic carcinoma of the colon or rectum /Hydrochloride/
• Use (kg; approx.) in Germany (2009): >25
• Consumption (g per capita; approx.) in Germany (2009): 0.000305
• Consumption (g per capita) in the USA (2002): 8.51e-05
• Semisynthetic derivative of camptothecin
• Irinotecan is a DNA topoisomerase I inhibitor that received approval for use in the United States in 1996. It is derived from the Chinese tree, Camptotheca acuminate, and is used as a chemotherapy agent against various solid tumors, such as colorectal, pancreatic, ovarian, and lung cancers. Also known as CPT-11, irinotecan is used adjunctively with other therapeutic agents against colorectal cancer as a first- or second-line treatment.

Synonyms

irinotecan; 97682-44-5; (+)-Irinotecan; Irinophore C; Irinotecanum; Biotecan; Irinotecan lactone; Irinotecan mylan; HSDB 7607; NSC-728073; DTXSID1041051; CHEBI:80630; NSC728073; camptothecin-11; (+)-7-ethyl-10-hydroxycamptothecine 10-(1,4'-bipiperidine)-1'-carboxylate; Irrinotecan

Frequently Asked Questions

What are the CAS number and molecular formula of Irinotecan?

CAS 97682-44-5; molecular formula C33H38N4O6; molecular weight — g/mol.

What other names is Irinotecan known by?

irinotecan, 97682-44-5, (+)-Irinotecan, Irinophore C, Irinotecanum, Biotecan.

Is Irinotecan classified as hazardous?

Hazard statements reported: H302, H315, H318, H361, H373.

What are the key physical properties of Irinotecan?

Melting Point: 222-223 °C; Melting Point: 222 - 223 °C; Solubility: 1.07e-01 g/L; LogP: 3.2.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.