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Ellipticine

CAT: 1596-AR-E09213-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-E09213-02Size:25 Units
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CAS Number
519-23-3
Synonyms
5,11-dimethyl-6H-pyrido[4,3-b]carbazole
Molecular Formula
C17H14N2
Molecular Weight
246.31
API Name
Ellipticine

Chemical Information

Ellipticine

Ellipticine is a organic heterotetracyclic compound that is pyrido[4,3-b]carbazole carrying two methyl substituents at positions 5 and 11. It has a role as an antineoplastic agent and a plant metabolite. It is an organonitrogen heterocyclic compound, an organic heterotetracyclic compound, a polycyclic heteroarene and an indole alkaloid.

CAS Number519-23-3
PubChem CID3213
IUPAC Name5,11-dimethyl-6H-pyrido[4,3-b]carbazole
Molecular FormulaC17H14N2
Molecular Weight246.31
XLogP4.8
Topological Polar Surface Area28.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count19
Formal Charge0
Complexity342
SMILES
CC1=C2C=CN=CC2=C(C3=C1NC4=CC=CC=C43)C
InChI
InChI=1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3
InChIKey
CTSPAMFJBXKSOY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ellipticine
CAS: 519-23-3
CID: 3213
Formula: C17H14N2
MW: 246.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight246.31
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass246.115698455
Monoisotopic Mass246.115698455
Topological Polar Surface Area28.7 Ų
Heavy Atom Count19
Formal Charge0
Complexity342
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
MBS3607525-01Ellipticine
T4614-01Ellipticine hydrochloride
A13780-50Ellipticine 50mg

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