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Namitecan

CAT: 0013-GTR19204079-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204079-03Size:100 mg
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Description
Namitecan is a potent topoisomerase I inhibitor with demonstrated antitumor activity. It is widely used in cancer research, particularly in studies investigating DNA damage and cell death mechanisms, both in vitro and in vivo.
CAS Number
372105-27-6
Field of Research
Molecular Biology
Smiles
CC[C@@]1 (O) C (=O) OCc2c1cc1-c3nc4ccccc4c (\C=N\OCCN) c3Cn1c2=O
Molecular Formula
C23H22N4O5
Molecular Weight
434.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Namitecan

Namitecan has been used in trials studying the treatment of Solid Tumors.

CAS Number372105-27-6
PubChem CID10950142
IUPAC Name(19S)-10-[(E)-2-aminoethoxyiminomethyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
Molecular FormulaC23H22N4O5
Molecular Weight434.4
XLogP0.1
Topological Polar Surface Area127
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity899
SMILES
CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)/C=N/OCCN)O
InChI
InChI=1S/C23H22N4O5/c1-2-23(30)17-9-19-20-15(11-27(19)21(28)16(17)12-31-22(23)29)14(10-25-32-8-7-24)13-5-3-4-6-18(13)26-20/h3-6,9-10,30H,2,7-8,11-12,24H2,1H3/b25-10+/t23-/m0/s1
InChIKey
IBTISPLPBBHVSU-UVOOVGFISA-N
Chemical Structure
2D Structure
2D structure of Namitecan
CAS: 372105-27-6
CID: 10950142
Formula: C23H22N4O5
MW: 434.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.4
XLogP30.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass434.15901982
Monoisotopic Mass434.15901982
Topological Polar Surface Area127 Ų
Heavy Atom Count32
Formal Charge0
Complexity899
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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A21146-10Namitecan 10mg
A21146-5Namitecan 5mg

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