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Indotecan

CAT: 1410-M24962-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M24962-04Size:25 mg
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Description
Indotecan is an effective inhibitor of topoisomerase 1 (Top1) .
CAS Number
915303-09-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
478.49
Molecular Formula
C26H26N2O7
Notes
Research use only, not for human use.
Receptor
Topoisomerase I

Chemical Information

Indotecan

See also: Indotecan Hydrochloride (active moiety of).

CAS Number915303-09-2
PubChem CID11533060
IUPAC Name15,16-dimethoxy-20-(3-morpholin-4-ylpropyl)-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione
Molecular FormulaC26H26N2O7
Molecular Weight478.5
XLogP2.2
Topological Polar Surface Area86.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity872
SMILES
COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCN6CCOCC6)OC
InChI
InChI=1S/C26H26N2O7/c1-31-19-10-15-18(13-20(19)32-2)26(30)28(5-3-4-27-6-8-33-9-7-27)24-16-11-21-22(35-14-34-21)12-17(16)25(29)23(15)24/h10-13H,3-9,14H2,1-2H3
InChIKey
FMFIFGLHVOZDEL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Indotecan
CAS: 915303-09-2
CID: 11533060
Formula: C26H26N2O7
MW: 478.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight478.5
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass478.17400117
Monoisotopic Mass478.17400117
Topological Polar Surface Area86.8 Ų
Heavy Atom Count35
Formal Charge0
Complexity872
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3845414-01Indotecan
HY-18351A-01Indotecan (hydrochloride)
A20979-10Indotecan 10mg
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A20979-50Indotecan 50mg
A20979-100Indotecan 100mg
A20979-25Indotecan 25mg
A20979-5Indotecan 5mg
A20979-1Indotecan 1mg

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