
 MLS000072668

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M  END

>  <Chemical Name>
MLS000072668

>  <PubChem CID>
6603437

>  <Formula>
C26H35ClN6O3

>  <Molecular Weight>
515.055000

>  <IUPAC Name>
1-[(1-cyclopentyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
COC1=CC=C(C=C1)N2CCN(CC2)C(C3=C(C(=CC=C3)OC)OC)C4=NN=NN4C5CCCC5.Cl

>  <Isomeric SMILES>
COC1=CC=C(C=C1)N2CCN(CC2)C(C3=C(C(=CC=C3)OC)OC)C4=NN=NN4C5CCCC5.Cl

>  <InChI Std. ID>
InChI=1S/C26H34N6O3.ClH/c1-33-21-13-11-19(12-14-21)30-15-17-31(18-16-30)24(22-9-6-10-23(34-2)25(22)35-3)26-27-28-29-32(26)20-7-4-5-8-20;/h6,9-14,20,24H,4-5,7-8,15-18H2,1-3H3;1H

>  <InChI Key>
AMGUPFVNSUOYTH-UHFFFAOYSA-N

