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7-Ethyl-10-(4-N-aminopentanoic acid)-1-piperidino)carbonyloxycamptothecin , CAS No.181467-56-1
a major metabolite of Irinotecan
Basic Description
Synonyms | 4-[(4-Carboxybutyl)amino]-1-piperidinecarboxylic acid | Q27149594 | J-011587 | 1-Piperidinecarboxylic acid, 4-[(4-carboxybutyl)amino]-, (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 | |
Storage Temp | Store at -20°C |
Shipped In | Ice chest + Ice pads |
Product Description | 7-Ethyl-10-(4-N-aminopentanoic acid)-1-piperidino)carbonyloxycamptothecin is a major metabolite of Irinotecan . |
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Names and Identifiers
IUPAC Name | 5-[[1-[[(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]oxycarbonyl]piperidin-4-yl]amino]pentanoic acid |
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 |
InChi Key | BSVVZICJFYZDJJ-XIFFEERXSA-N |
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 |
Isomeric SMILES | CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)NCCCCC(=O)O |
PubChem CID | 10077584 |
Molecular Weight | 618.68 |
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Chemical and Physical Properties
Solubility | Soluble in DMSO and Methanol |
Refractive Index | n20D1.68 (Predicted) |
Boil Point(°C) | ~953.5° C at 760 mmHg (Predicted) |
Melt Point(°C) | 166-168° C |
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