Isoellipticine

HCID 265286

Notes Reactions

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Basic information

CAS: 13799-49-0
Standard SMILES: Cc1c2cnccc2c(C)c2c1[nH]c1ccccc12
InChIKey: JSYJDIUYIWEOMO-UHFFFAOYSA-N
Molecular formula: C17H14N2
Average molar mass: 246.31 g/mol
Monoisotopic mass: 246.11569846

Names & identifiers

Preferred name: Isoellipticine
IUPAC: 5,11-dimethyl-10H-pyrido[3,4-b]carbazole

Names & synonyms

Isoellipticine13799-49-0DTXSID40295317RefChem:349596DTXCID902464555,11-dimethyl-10H-pyrido[3,4-b]carbazoleNSC101152SCHEMBL30459012JSYJDIUYIWEOMO-UHFFFAOYSA-NNSC-1011525,11 dimethyl 10H-pyrido[3,4-b]carbazole5,11-dimethyl-10H-pyrido[3,4-b]carbazol

Database identifiers

CAS: 13799-49-0
PubChem CID: 265286
DTXSID: DTXSID40295317
Nikkaji: J495.974D

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 28.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 19
Formal charge: 0
Complexity: 342

Related reactions

1 records

New reaction record

HRID 1089904As productuspto-grants-1992_01

Compound notes

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