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Oncology and immunology drugs

Irinotecan

Also known as (+)-Irinotecan, Irinophore C, Irinotecanum

CAS 97682-44-5Formula C33H38N4O6Molar mass 586.69 g/molEC 691-567-9
GHS signal word: Danger. Pictograms: Corrosive, Harmful or irritant, Serious health hazard 83 suppliers listed Drug substance
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Irinotecan chemical structure, C33H38N4O6, CAS 97682-44-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
97682-44-5
Formula
C33H38N4O6
Appearance
Pale yellow powder
Melting point
222 to 223
HS code
293499
Category
Oncology and immunology drugs
Illustrative photo, off-white crystalline powder in fibre drums in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is Irinotecan?

Plain description, key identifiers and synonyms

Irinotecan is a member of the class of pyranoindolizinoquinolines that is the carbamate ester obtained by formal condensation of the carboxy group of [1,4'-bipiperidine]-1'-carboxylic acid with the phenolic hydroxy group of (4S)-4,11-diethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2- hydrochloride]quinoline-3,14-dione. Used (in the form of its hydrochloride salt trihydrate) in combination with fluorouracil and leucovorin, for the treatment of patients with metastatic adenocarcinoma of the pancreas after disease progression following gemcitabine-based therapy. It is converted via hydrolysis of the carbamate linkage to its active metabolite, SN-38, which is ~1000 times more active. It has a role as an antineoplastic agent, a prodrug, an EC 5.99.1.2 (DNA topoisomerase) inhibitor and an apoptosis inducer. It is a delta-lactone, a carbamate ester, a tertiary alcohol, a ring assembly, a N-acylpiperidine, a pyranoindolizinoquinoline and a tertiary amino compound. It is functionally related to a SN-38. It is a conjugate base of an irinotecan(1+).

Identifiers

Registry numbers, names and line notations, tap to copy

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
CAS number
97682-44-5 CAS number cross-checkedOther or deprecated CAS: 100286-90-6
EC number
691-567-9
Molecular formula
C33H38N4O6
UNII
7673326042
MDL number
MFCD00866307
InChIKey
UWKQSNNFCGGAFS-XIFFEERXSA-N
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
Canonical SMILES
CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC
Isomeric SMILES
CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7

Synonyms

  • (+)-Irinotecan
  • Irinophore C
  • Irinotecanum
  • Biotecan
  • Irinotecan lactone
  • Irinotecan mylan
  • camptothecin-11
  • (+)-7-ethyl-10-hydroxycamptothecine 10-(1,4'-bipiperidine)-1'-carboxylate
  • [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
  • Irrinotecan
  • (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
  • (+)-(4S)-4,11-diethyl-4-hydroxy-9-((4-piperidino-piperidino)carbonyloxy)-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinol-3,14,(4H,12H)-dione
  • (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
  • 7-ethyl-10-(4-(1-piperidino)-1-piperidino)carbonyloxycamptothecin
  • Camptothecin 11
  • Irinotecan Free base
  • (S)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl [1,4'-bipiperidine]-1'-carboxylate
  • Irinotecan (INN)
  • 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
  • (4S)-4,11-Diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl 1,4'-bipiperidine-1'-carboxylate
  • 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
  • CPT-11 hydrochloride, Camptothecin 11 hydrochloride
  • Biotecan (TN)
  • (4S)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl [1,4'-bipiperidine]-1'-carboxylate
  • Irinotecan?
Show all 31 synonyms
  • Camptetin,
  • Camptosar,
  • Campto,
  • 97682-44-5 (Free base)
  • Irinotecan (Standard)
  • (diethyl-hydroxy-dioxo-[?]yl) 4-(1-piperidyl)piperidine-1-carboxylate

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

Appearance
Pale yellow powderexp.
Melting point
222 to 223exp.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
586.69 g/molcalc.
Exact mass
586.2791 Dacalc.
LogP (octanol/water)
4.09calc.
Topological polar surface area
114.2 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
4calc.
Heavy atoms
43calc.
Rings
7calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.52calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1Cc2cc3n(c(=O)c2CO1)Cc1cc2cc(OC(=O)N4CCC(N5CCCCC5)CC4)ccc2nc1-3

O=C1Cc2cc3n(c(=O)c2CO1)Cc1cc2cc(OC(=O)N4CCC(N5CCCCC5)CC4)ccc2nc1-3

7 rings, 38 atoms.

20 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS05: Corrosive
Corrosive
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H302Harmful if swallowed.
  • H315Causes skin irritation.
  • H318Causes serious eye damage.
  • H361Suspected of damaging fertility or the unborn child.
  • H373May cause damage to organs through prolonged or repeated exposure.
Precautionary statements (18)
  • P203Obtain, read and follow all safety instructions before use.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P317Get medical help.
  • P318If exposed or concerned, get medical advice.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Irinotecan suppliers

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Where suppliers are based

83 suppliers in 13 countries

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Irinotecan price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

(treatment of) metastaic carcinoma of the colon or rectum (Hydrochloride).

Therapeutic category: Antineoplastic.

Industries and functions

Pharmacological actions

  • Topoisomerase I Inhibitors

Roles

  • antineoplastic agent
  • apoptosis inducer
  • enzyme inhibitor
  • pharmaceutical
  • pro-agent
  • prodrug
  • topoisomerase inhibitor

Pharmacology

Irinotecan is a Topoisomerase Inhibitor. The mechanism of action of irinotecan is as a Topoisomerase Inhibitor.

How it is made

Semisynthetic derivative of camptothecin

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • Active ingredient in FDA approved drug labels

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Irinotecan is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Irinotecan is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Irinotecan, based on the data on this page

What is Irinotecan?

Irinotecan is a member of the class of pyranoindolizinoquinolines that is the carbamate ester obtained by formal condensation of the carboxy group of [1,4'-bipiperidine]-1'-carboxylic acid with the phenolic hydroxy group of (4S)-4,11-diethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2- hydrochloride]quinoline-3,1…

What is the CAS number of Irinotecan?

The CAS registry number of Irinotecan is 97682-44-5. Other or deprecated CAS numbers: 100286-90-6.

What is the molecular formula and weight of Irinotecan?

The molecular formula of Irinotecan is C33H38N4O6 and its molar mass is 586.69 g/mol.

What is Irinotecan used for?

(treatment of) metastaic carcinoma of the colon or rectum (Hydrochloride). Therapeutic category: Antineoplastic.

Is Irinotecan hazardous?

Irinotecan carries the GHS signal word "Danger". Main hazards: harmful if swallowed, causes skin irritation, causes serious eye damage. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Irinotecan?

Irinotecan is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Irinotecan?

CompoundList lists 83 suppliers of Irinotecan in China, United States, Germany, Spain and 9 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Irinotecan in India?

1 supplier in India list Irinotecan on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Irinotecan?

Suppliers quote Irinotecan on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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