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12-Hydroxy Irinotecan , CAS No.185336-12-3
Basic Description
Synonyms | DTXSID60729785 | SCHEMBL12356492 | (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 | [(19S)-10,19-diethyl-12,19-dihydroxy-14,18-dioxo-17-oxa-3,13-diazap |
Storage Temp | Room temperature |
Shipped In | Normal |
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Names and Identifiers
IUPAC Name | [(19S)-10,19-diethyl-12,19-dihydroxy-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 |
INCHI | InChI=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 |
InChi Key | XQUUJPQAMJFQHV-OQGPVULJSA-N |
Canonical SMILES | CCC1=C2C(N3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7)O |
Isomeric SMILES | CCC1=C2C(N3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7)O |
PubChem CID | 58730919 |
Molecular Weight | 602.68 |
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