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8-Ethyl Irinotecan

CAT: 0804-HY-131174-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-131174-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
8-Ethyl Irinotecan (compound H) is a impurity of Irinotecan hydrochloride.
CAS Number
947687-02-7
UNSPSC
12352005
Hazard Statement
H301
Target
Biochemical Assay Reagents
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/8-ethyl-irinotecan.html
Purity
95.04
Smiles
O=C(N1CCC(N2CCCCC2)CC1)OC3=C(CC)C=C4N=C5C(CN6C(C(COC([C@@]7(CC)O)=O)=C7C=C65)=O)=C(CC)C4=C3
Molecular Formula
C35H42N4O6
Molecular Weight
614.73
Precautions
H301
References & Citations
[1]Kumar N, et, al. UPLC and LC-MS studies on degradation behavior of irinotecan hydrochloride and development of a validated stability-indicating ultra-performance liquid chromatographic method for determination of irinotecan hydrochloride and its impurities in pharmaceutical dosage forms. J Chromatogr Sci. 2012 Oct;50 (9) :810-9.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

8-Ethyl Irinotecan
CAS Number947687-02-7
PubChem CID58965010
IUPAC Name[(19S)-6,10,19-triethyl-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] 4-piperidin-1-ylpiperidine-1-carboxylate
Molecular FormulaC35H42N4O6
Molecular Weight614.7
XLogP3.8
Topological Polar Surface Area113
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count45
Formal Charge0
Complexity1250
SMILES
CCC1=CC2=C(C=C1OC(=O)N3CCC(CC3)N4CCCCC4)C(=C5CN6C(=CC7=C(C6=O)COC(=O)[C@@]7(CC)O)C5=N2)CC
InChI
InChI=1S/C35H42N4O6/c1-4-21-16-28-24(17-30(21)45-34(42)38-14-10-22(11-15-38)37-12-8-7-9-13-37)23(5-2)25-19-39-29(31(25)36-28)18-27-26(32(39)40)20-44-33(41)35(27,43)6-3/h16-18,22,43H,4-15,19-20H2,1-3H3/t35-/m0/s1
InChIKey
IEKWXGPJFJGZSM-DHUJRADRSA-N
Chemical Structure
2D Structure
2D structure of 8-Ethyl Irinotecan
CAS: 947687-02-7
CID: 58965010
Formula: C35H42N4O6
MW: 614.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight614.7
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass614.31043507
Monoisotopic Mass614.31043507
Topological Polar Surface Area113 Ų
Heavy Atom Count45
Formal Charge0
Complexity1250
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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Alternative Products

CatalogName
TRC-E921100-25MG8-Ethyl Irinotecan
AR-I03922-01Irinotecan Impurity 8
TRC-E767510-100MG12-Ethyl-8-(hydroxymethyl)-7-(1-hydroxypropyl) Irinotecan Lactone
TRC-E767515-100MG12-Ethyl-8-((formyloxy)methyl)-9-oxo-7-propionyl Irinotecan Lactone
AR-C01131-017-Ethyl Camptothecin (Irinotecan EP Impurity F)
RM-I200306-01Irinotecan EP Impurity F; Camptothecin 7-Ethyl Impurity
AR-I03936-01Rac-Irinotecan EP Impurity E (rac-Irinotecan USP Related Compound B, rac-7-Ethyl-10-Hydroxy Camptothecin)
RM-I200303-01Irinotecan EP Impurity E; Camptothecin 7-Ethyl-10-Hydroxy Impurity
AR-I01722-01Irinotecan EP Impurity E ((S) -7-Ethyl-10-Hydroxy Camptothecin)
AR-I03935-01Irinotecan EP Impurity E-d3 (Irinotecan USP Related Compound B-d3, (S) -7-Ethyl-10-Hydroxy Camptothecin-d3)

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