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Karenitecin

CAT: 0013-GTR19203890-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203890-01Size:25 mg
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Description
Karenitecin
CAS Number
203923-89-1
Field of Research
Molecular Biology
Smiles
CC[C@@]1 (O) C (=O) OCc2c1cc1-c3nc4ccccc4c (CC[Si] (C) (C) C) c3Cn1c2=O
Molecular Formula
C25H28N2O4Si
Molecular Weight
448.59
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cositecan

Cositecan is a pyranoindolizinoquinoline.

CAS Number203923-89-1
PubChem CID148202
IUPAC Name(19S)-19-ethyl-19-hydroxy-10-(2-trimethylsilylethyl)-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 FormulaC25H28N2O4Si
Molecular Weight448.6
Topological Polar Surface Area79.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity891
SMILES
CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)CC[Si](C)(C)C)O
InChI
InChI=1S/C25H28N2O4Si/c1-5-25(30)19-12-21-22-17(13-27(21)23(28)18(19)14-31-24(25)29)15(10-11-32(2,3)4)16-8-6-7-9-20(16)26-22/h6-9,12,30H,5,10-11,13-14H2,1-4H3/t25-/m0/s1
InChIKey
POADTFBBIXOWFJ-VWLOTQADSA-N
Chemical Structure
2D Structure
2D structure of Cositecan
CAS: 203923-89-1
CID: 148202
Formula: C25H28N2O4Si
MW: 448.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight448.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass448.18183391
Monoisotopic Mass448.18183391
Topological Polar Surface Area79.7 Ų
Heavy Atom Count32
Formal Charge0
Complexity891
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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