Atidine; 7α-Alcohol

AlkaPlorer ID: AK289684

Synonym: Dihydroajaconine

IUPAC Name: 13-(2-hydroxyethyl)-11-methyl-5-methylidene-13-azapentacyclo[9.3.3.24,7.01,10.02,7]nonadecane-6,8-diol

Structure

SMILES: C=C1C2CCC3(C(O)CC4C5(C)CCCC4(CN(CCO)C5)C3C2)C1O

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InChI: InChI=1S/C22H35NO3/c1-14-15-4-7-22(19(14)26)17(10-15)21-6-3-5-20(2,16(21)11-18(22)25)12-23(13-21)8-9-24/h15-19,24-26H,1,3-13H2,2H3

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InChIKey: LAGBIQKFHSDYJZ-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 361.5260000000001

TPSA: 63.93000000000001

MolLogP: 2.1851000000000007

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information