(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 hydrochloride hydrate

Basic Information

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CAS Number

136572-09-3

Molecular Formula

C33H41ClN4O7

Molecular Weight

677.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

250-256 ºC (dec.)

Boiling Point

257°C

Density

Flash Point

482 °C

SMILES

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CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7.O.O.O.Cl

InChI

InChI=1S/C33H38N4O6.ClH.H2O/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;1H2/t33-;;/m0../s1

InChIKey

OHNBIIZWIUBGTK-NYPSMHOZSA-N

LogP

2.0388000000000024

Topological Polar Surface Area

208.7 Å²

Hydrogen Bond Donor/Acceptor

7 / 13

Complexity

1200

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H372 Causes damage to organs through prolonged or repeated exposure
Specific target organ toxicity, repeated exposure

Synonyms & References

English

1-[1-({[(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]oxy}carbonyl)piperidin-4-yl]piperidin-1-ium chloride--water (1/3)
DQ-2805
(+)-7-Ethyl-10-hydroxycamptothecine 10-(1,4'-bipiperidine)-1'-carboxylate, monohydrochloride, trihydrate
CPT-11 HCl Trihydrate
[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 monohydrochloride trihydrate; Irinotecan hydrochloride hydrate; Irinotecan hydrochloride trihydrate
Irinotecan hydrochloride hydrate (JP17)
Irinotecan hydrochloride trihydrate- Bio-X
136572-09-3 (HCl trihydrate)
UNII-042LAQ1IIS
042LAQ1IIS
XELIRI COMPONENT IRINOTECAN HYDROCHLORIDE
Irinotecan HCI Trihydrate
IRINOTECAN HYDROCHLORIDE [ORANGE BOOK]
Onivyde (TN)
(s)-[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 hydrochloride trihydrate
IRINOTECAN MONOHYDROCHLORIDE TRIHYDRATE
AMY24930
(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 [1,4'-Bipiperidine]-1'-carboxylate Hydrochloride Trihydrate
IRINOTECAN HYDROCHLORIDE TRIHYDRATE [MI]
IRINOTECAN HYDROCHLORIDE [USAN]
IRINOTECAN HYDROCHLORIDE [USP-RS]
Camptosar
IRINOTECAN HYDROCHLORIDE [MART.]
NSC 759878
Campto (TN)
BCP9000794
IRINOTECAN HYDROCHLORIDE Trihydrate
(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-7-yl [1,4'-bipiperidine]-1'-carboxylate trihydrate hydrochloride
CHEMBL3989514
KLEAIHJJLUAXIQ-JDRGBKBRSA-N
[(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;trihydrate;hydrochloride