Narceine; 8-Demethoxy
AlkaPlorer ID: AK147283
Synonym: N-Methylhydrasteine
IUPAC Name: 6-[2-[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoic acid
Structure
SMILES: COC1=CC=C(C(=O)CC2=CC3=C(C=C2CCN(C)C)OCO3)C(C(=O)O)=C1OC
InChI: InChI=1S/C22H25NO7/c1-23(2)8-7-13-10-18-19(30-12-29-18)11-14(13)9-16(24)15-5-6-17(27-3)21(28-4)20(15)22(25)26/h5-6,10-11H,7-9,12H2,1-4H3,(H,25,26)
InChIKey: UZMCBNLWPFVFFI-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 415.4420000000002
TPSA？: 94.53
MolLogP？: 2.6602
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 3
Activities Information
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