12-Hydroxy Irinotecan (Mixture of Diastereomers)

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For Research Use Only | Not For Clinical Use
CATAPS185336123
CAS185336-12-3
Structure
Synonyms(4S)-4,11-Diethyl-4,12-dihydroxy-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, (4S)-4,11-diethyl-3,4,12,14-tetrahydro-4,12-dihydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl ester, 12-Hydroxy Irinotecan, [1,4'-Bipiperidine]-1'-carboxylic acid, 4,11-diethyl-3,4,12,14-tetrahydro-4,12-dihydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl ester, (4S)-, RPR 112524
Molecular Weight602.68
Molecular FormulaC33H38N4O7
SMILESCCc1c2C(O)N3C(=O)C4=C(C=C3c2nc5ccc(OC(=O)N6CCC(CC6)N7CCCCC7)cc15)[C@@](O)(CC)C(=O)OC4
InChIInChI=1S/C33H38N4O7/c1-3-21-22-16-20(44-32(41)36-14-10-19(11-15-36)35-12-6-5-7-13-35)8-9-25(22)34-28-26-17-24-23(18-43-31(40)33(24,42)4-2)29(38)37(26)30(39)27(21)28/h8-9,16-17,19,30,39,42H,3-7,10-15,18H2,1-2H3/t30?,33-/m0/s1
Accurate Mass602.274
FormatNeat
Product TypeMetabolite
ShippingRoom Temperature
Size1MG
Storage Conditions-20°C Freezer
SubcategoryChiral molecules, TRC
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