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Irinotecan EP Impurity H

CAT: 1299-RM-I200313-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-I200313-01Size:10 mg
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CAS Number
1608617-71-5
Synonyms
(S) -11-ethyl-4-hydroxy-4-methyl-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
Molecular Formula
C32H36N4O6
Molecular Weight
572.65
Target Alternative Name
Irinotecan
Product Name Synonym
(S) -11-ethyl-4-hydroxy-4-methyl-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

Chemical Information

Irinotecan EP Impurity H
CAS Number1608617-71-5
PubChem CID60015214
IUPAC Name[(19S)-10-ethyl-19-hydroxy-19-methyl-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
Molecular FormulaC32H36N4O6
Molecular Weight572.7
XLogP2.5
Topological Polar Surface Area113
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count42
Formal Charge0
Complexity1190
SMILES
CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(C)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7
InChI
InChI=1S/C32H36N4O6/c1-3-21-22-15-20(42-31(39)35-13-9-19(10-14-35)34-11-5-4-6-12-34)7-8-26(22)33-28-23(21)17-36-27(28)16-25-24(29(36)37)18-41-30(38)32(25,2)40/h7-8,15-16,19,40H,3-6,9-14,17-18H2,1-2H3/t32-/m0/s1
InChIKey
BVRFLTMNUUTDIT-YTTGMZPUSA-N
Chemical Structure
2D Structure
2D structure of Irinotecan EP Impurity H
CAS: 1608617-71-5
CID: 60015214
Formula: C32H36N4O6
MW: 572.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight572.7
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass572.26348488
Monoisotopic Mass572.26348488
Topological Polar Surface Area113 Ų
Heavy Atom Count42
Formal Charge0
Complexity1190
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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