(+)-Strempeliopidine

AlkaPlorer ID: AK186977

Synonym: 'Strempeliopidine'

IUPAC Name: (15S,16R,19R)-15-ethyl-16-[(1R,9R,12R,19R)-12-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-4-yl]-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene

Structure

SMILES: CC[C@@]12CCCN3CC[C@]4(C5=CC([C@H]6CN7C8=C(CCN9CCC[C@]6(CC)[C@H]89)C6=CC=CC=C67)=CC=C5N[C@@H]4CC1)[C@H]32

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InChI: InChI=1S/C38H48N4/c1-3-36-15-7-20-41-22-18-38(35(36)41)28-23-25(11-12-30(28)39-32(38)13-17-36)29-24-42-31-10-6-5-9-26(31)27-14-21-40-19-8-16-37(29,4-2)34(40)33(27)42/h5-6,9-12,23,29,32,34-35,39H,3-4,7-8,13-22,24H2,1-2H3/t29-,32-,34+,35-,36-,37+,38-/m1/s1

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InChIKey: KRFPTFLBQUGVOL-DBULHXIHSA-N

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Properties Information

Molecule Weight: 560.8300000000003

TPSA: 23.44

MolLogP: 7.618300000000009

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 10

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information