N-Methylisodemecolcine

HCID 330189

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Basic information

CAS: 74483-61-7
Standard SMILES: COc1cc2c(c(OC)c1OC)-c1ccc(=O)c(OC)cc1[C@@H](N(C)C)CC2
InChIKey: GJTQQICMBRTGJT-INIZCTEOSA-N
Molecular formula: C22H27NO5
Average molar mass: 385.5 g/mol
Monoisotopic mass: 385.18892296

Names & identifiers

Preferred name: N-Methylisodemecolcine
IUPAC: (7S)-7-(dimethylamino)-1,2,3,9-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-10-one

Names & synonyms

N-MethylisodemecolcineDTXSID9031749774483-61-7RefChem:364634DTXCID20268620CHEMBL313180NSC317023NSC-317023(7S)-7-(Dimethylamino)-1,2,3,9-tetramethoxy-6,7-dihydrobenzo[a]heptalen-10(5H)-one

Database identifiers

CAS: 74483-61-7
PubChem CID: 330189
DTXSID: DTXSID90317497
ChEMBL: CHEMBL313180

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 57.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 28
Formal charge: 0
Complexity: 680

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