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3-Hydroxy Exatecan

CAT: 1459-CS-O-47294Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-O-47294Size:1 Each
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Description
3-Hydroxy Exatecan is listed under Metabolite and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Exatecan. The product is supplied by Clearsynth under CAT No. CS-O-47294. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
349484-08-8
Synonyms
3-Hydroxy Exatecan
Molecular Formula
C 24 H 22 FN 3 O 5
Molecular Weight
451.45
Additionnal Information
3-Hydroxy Exatecan is supplied with detailed characterization data compliant with regulatory guideline. 3-Hydroxy Exatecan can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Exatecan.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

23-Amino-10-ethyl-18-fluoro-10,21-dihydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione
CAS Number349484-08-8
PubChem CID85276558
IUPAC Name23-amino-10-ethyl-18-fluoro-10,21-dihydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione
Molecular FormulaC24H22FN3O5
Molecular Weight451.4
XLogP-0.7
Topological Polar Surface Area126
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count1
Heavy Atom Count33
Formal Charge0
Complexity983
SMILES
CCC1(C2=C(COC1=O)C(=O)N3CC4=C5C(CC(C6=C5C(=CC(=C6C)F)N=C4C3=C2)O)N)O
InChI
InChI=1S/C24H22FN3O5/c1-3-24(32)12-4-16-21-10(7-28(16)22(30)11(12)8-33-23(24)31)19-14(26)6-17(29)18-9(2)13(25)5-15(27-21)20(18)19/h4-5,14,17,29,32H,3,6-8,26H2,1-2H3
InChIKey
HYQWAOBFFAVLKH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 23-Amino-10-ethyl-18-fluoro-10,21-dihydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione
CAS: 349484-08-8
CID: 85276558
Formula: C24H22FN3O5
MW: 451.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight451.4
XLogP3-0.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count1
Exact Mass451.15434897
Monoisotopic Mass451.15434897
Topological Polar Surface Area126 Ų
Heavy Atom Count33
Formal Charge0
Complexity983
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-H399180-25MG4-Hydroxy-Exatecan Mesylate
TRC-H557830-10MG4-Hydroxy-Exatecan Mesylate-D₅
RM-E240303-01Exatecan Impurity 3
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HY-173634-01Mal ((3S,3aR,6S,6aR) -Hexahydrofuro[3,2-b]furan-3,6-diamine-PEG12) -β-Glu-PAB-Exatecan
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