Narceine imide; (ξ)-form, 8-Demethoxy

AlkaPlorer ID: AK307411

Synonym: Fumaridine, Hydrastine imide

IUPAC Name: (3E)-3-[[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]methylidene]-6,7-dimethoxyisoindol-1-one

Structure

SMILES: COC1=CC=C2/C(=C\C3=CC4=C(C=C3CCN(C)C)OCO4)NC(=O)C2=C1OC

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InChI: InChI=1S/C22H24N2O5/c1-24(2)8-7-13-10-18-19(29-12-28-18)11-14(13)9-16-15-5-6-17(26-3)21(27-4)20(15)22(25)23-16/h5-6,9-11H,7-8,12H2,1-4H3,(H,23,25)/b16-9+

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InChIKey: ZMAHFZSTFDAVRW-CXUHLZMHSA-N

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Reference

PubChem CID: 5365301

CAS: 30341-98-1

Properties Information

Molecule Weight: 396.44300000000015

TPSA: 69.26

MolLogP: 2.7781

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information