Ellipticine, 6-methyl

HCID 97109

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Basic information

CAS: 18073-33-1
Standard SMILES: Cc1c2cnccc2c(C)c2c1c1ccccc1n2C
InChIKey: DMSWVUVVVVRJJW-UHFFFAOYSA-N
Molecular formula: C18H16N2
Average molar mass: 260.3 g/mol
Monoisotopic mass: 260.13134852

Names & identifiers

Preferred name: Ellipticine, 6-methyl
IUPAC: 5,6,11-trimethylpyrido[4,3-b]carbazole

Names & synonyms

ELLIPTICINE, 6-METHYL6-MethylellipticineEllipticine, 6-methyl-SX7G75DOG5N-METHYLELLIPTICINEUNII-SX7G75DOG5N6-METHYLELLIPTICINENSC 100596NSC-100596DTXSID201710045,6,11-Trimethyl-6H-pyrido[4,3-b]carbazole5,6,11-TRIMETHYL-6H-PYRIDO(4,3-B)CARBAZOLE

Show more names

RefChem:136525DTXCID809349518073-33-16H-Pyrido(4,3-b)carbazole, 5,6,11-trimethyl-NSC100596CHEMBL27112SCHEMBL16019006H-Pyrido[4, 5,6,11-trimethyl-

Database identifiers

CAS: 18073-33-1
PubChem CID: 97109
DTXSID: DTXSID20171004
ChEMBL: CHEMBL27112
UNII: SX7G75DOG5
Nikkaji: J1.229.493J

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 17.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 20
Formal charge: 0
Complexity: 368

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