9-Methylellipticine

HCID 97082

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Basic information

CAS: 18073-31-9
Standard SMILES: Cc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1
InChIKey: BYHFFXRDZVPQCW-UHFFFAOYSA-N
Molecular formula: C18H16N2
Average molar mass: 260.3 g/mol
Monoisotopic mass: 260.13134852

Names & identifiers

Preferred name: 9-Methylellipticine
IUPAC: 5,9,11-trimethyl-6H-pyrido[4,3-b]carbazole

Names & synonyms

9-Methylellipticine5,9,11-Trimethyl-6H-pyrido[4,3-b]carbazole6H-Pyrido(4,3-b)carbazole, 5,9,11-trimethyl-T51R0T0TZBNSC 98949NSC-98949UNII-T51R0T0TZBDTXSID001710025,9,11-TRIMETHYL-6H-PYRIDO(4,3-B)CARBAZOLERefChem:108020DTXCID809349318073-31-9

Show more names

NSC98949Ellipticine, 9-methyl-Neuro_000045NCIOpen2_006463CHEMBL302356SCHEMBL172124736H-Pyrido[4, 5,9,11-trimethyl-NCI60_042214

Database identifiers

CAS: 18073-31-9
PubChem CID: 97082
DTXSID: DTXSID00171002
ChEMBL: CHEMBL302356
UNII: T51R0T0TZB
Nikkaji: J601.938B

Properties

Computed structural properties

XLogP: 5.2
Topological polar surface area: 28.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 20
Formal charge: 0
Complexity: 368

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