Cavidine; (+)-form, 4-Nitro, O3-de-Me 

AlkaPlorer ID: AK291840

Synonym: 4-Nitroisoapocavidine

IUPAC Name: None

Structure

SMILES: COC1=CC2=C(CCN3CC4=C(C=CC5=C4OCO5)C(C)C23)C([N+](=O)[O-])=C1O

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InChI: InChI=1S/C20H20N2O6/c1-10-11-3-4-15-20(28-9-27-15)14(11)8-21-6-5-12-13(17(10)21)7-16(26-2)19(23)18(12)22(24)25/h3-4,7,10,17,23H,5-6,8-9H2,1-2H3

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InChIKey: KDKRJWYGHHTLTD-UHFFFAOYSA-N

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Reference

CAS: 1392426-20-8

Source

Properties Information

Molecule Weight: 384.38800000000015

TPSA: 94.3

MolLogP: 3.254200000000002

Number of H-Donors: 1

Number of H-Acceptors: 7

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information