2,9-Dihydroxy-3,11-dimethoxy-1,10-dinitrotetrahydroprotoberberine; (S)-form 

AlkaPlorer ID: AK296154

Synonym: None

IUPAC Name: 3,11-dimethoxy-1,10-dinitro-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol

Structure

SMILES: COC1=CC2=C(C([N+](=O)[O-])=C1O)C1CC3=CC(OC)=C([N+](=O)[O-])C(O)=C3CN1CC2

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InChI: InChI=1S/C19H19N3O8/c1-29-13-7-10-5-12-15-9(6-14(30-2)19(24)17(15)22(27)28)3-4-20(12)8-11(10)18(23)16(13)21(25)26/h6-7,12,23-24H,3-5,8H2,1-2H3

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InChIKey: CWPDUEHYTZWNAR-UHFFFAOYSA-N

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Reference

CAS: 1392426-19-5

Source

Properties Information

Molecule Weight: 417.37400000000025

TPSA: 148.44000000000003

MolLogP: 2.5869

Number of H-Donors: 2

Number of H-Acceptors: 9

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information