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7-Ethyl-10-(4-N-aminopentanoic acid)-1-piperidino)carbonyloxycamptothecin-[d3]

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General Information
Catalog: BLP-006127
CAS: 1217816-76-6
Molecular Formula: C33H35D3N4O8
Molecular Weight: 621.70

Chemical Structure

Description	7-Ethyl-10-(4-N-aminopentanoic acid)-1-piperidino)carbonyloxycamptothecin-[d3] is the labelled analogue of 7-Ethyl-10-(4-N-aminopentanoic acid)-1-piperidino)carbonyloxycamptothecin, which is an impurity of Irinotecan.
Synonyms	7-Ethyl-10-(4-N-aminopentanoic acid)-1-piperidino)carbonyloxycamptothecin-d3; 4-[(4-Carboxybutyl)amino]-1-piperidinecarboxylic 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-d3; APC-d3; RPR 121056-d3
IUPAC Name	5-[[1-[[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-10-(2,2,2-trideuterioethyl)-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]oxycarbonyl]piperidin-4-yl]amino]pentanoic acid
Related CAS	181467-56-1 (unlabelled)
Canonical SMILES	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)NCCCCC(=O)O
InChI	InChI=1S/C33H38N4O8/c1-3-21-22-15-20(45-32(42)36-13-10-19(11-14-36)34-12-6-5-7-28(38)39)8-9-26(22)35-29-23(21)17-37-27(29)16-25-24(30(37)40)18-44-31(41)33(25,43)4-2/h8-9,15-16,19,34,43H,3-7,10-14,17-18H2,1-2H3,(H,38,39)/t33-/m0/s1/i1D3
InChI Key	BSVVZICJFYZDJJ-MLZAFXDMSA-N
Melting Point	>158°C (dec.)
Purity	95%; ≥98% atom D
Solubility	Slightly soluble in DMSO (Heated), Methanol (Heated)
Appearance	Pale Yellow to Light Yellow Solid
Storage	Store at -20°C