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Substance Name: Irinotecan hydrochloride [USAN:USP:JAN]
RN: 136572-09-3
UNII: 042LAQ1IIS
InChIKey: KLEAIHJJLUAXIQ-JDRGBKBRSA-N

Classification Codes

  • Antineoplastic (DNA Topoisomerase I Inhibitor)
  • Drug / Therapeutic Agent

Molecular Formula

  • C33-H38-N4-O6.Cl-H.3H2-O

Molecular Weight

  • 677.1905
 

Names and Synonyms

Name of Substance

  • Irinotecan hydrochloride [USAN:USP:JAN]

Synonyms

  • (+)-7-Ethyl-10-hydroxycamptothecine 10-(1,4'-bipiperidine)-1'-carboxylate, monohydrochloride, trihydrate
  • Camptosar
  • Irinotecan HCl
  • Irinotecan hydrochloride
  • U-101,440E
  • UNII-042LAQ1IIS

Systematic Name

  • (1,4'-Bipiperidine)-1'-carboxylic acid, 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, monohydrochloride, trihydrate, (S)-

Registry Numbers

CAS Registry Number

  • 136572-09-3

FDA UNII

  • 042LAQ1IIS

System Generated Number

  • 0136572093

Molecular Formulas

Molecular Formula

  • C33-H38-N4-O6.Cl-H.3H2-O

Molecular Formula Fragments

  • C33-H38-N4-O6
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C33H38N4O6.ClH.3H2O/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;1H;3*1H2/t33-;;;;/m0..../s1

InChIKey

KLEAIHJJLUAXIQ-JDRGBKBRSA-N

Smiles

O.O.O.Cl.CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(OC(=O)N6CCC(CC6)N7CCCCC7)cc15)[C@@](O)(CC)C(=O)OC4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 40mg/kg (40mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 26, Pg. 953, 1995.
mouse LD50 intravenous 132mg/kg (132mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 26, Pg. 953, 1995.
mouse LD50 oral 1045mg/kg (1045mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 26, Pg. 953, 1995.
rat LD50 intravenous 83600ug/kg (83.6mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 26, Pg. 953, 1995.
rat LD50 oral 867mg/kg (867mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 26, Pg. 953, 1995.