N8T

N-[8-(1,2,3,4-TETRAHYDROACRIDIN-9-YLTHIO)OCTYL]-1,2,3,4-TETRAHYDROACRIDIN-9-AMINE

Created:2006-02-08
Last modified:  2021-03-13

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Chemical Details

Formal Charge0
Atom Count79
Chiral Atom Count0
Bond Count84
Aromatic Bond Count22
2D diagram of N8T

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Chemical Component Summary

NameN-[8-(1,2,3,4-TETRAHYDROACRIDIN-9-YLTHIO)OCTYL]-1,2,3,4-TETRAHYDROACRIDIN-9-AMINE
SynonymsN-(1,2,3,4-TETRAHYDROACRIDIN-9-YL)-8-[(1,2,3,4-TETRAHYDROACRIDIN-9-YL)THIO]-O CTAN-1-AMINE
Systematic Name (OpenEye OEToolkits)N-[8-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)octyl]-1,2,3,4-tetrahydroacridin-9-amine
FormulaC34 H41 N3 S
Molecular Weight523.774
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04n2c1c(cccc1)c(c3c2CCCC3)NCCCCCCCCSc4c6c(nc5c4CCCC5)cccc6
SMILESCACTVS3.341C(CCCCSc1c2CCCCc2nc3ccccc13)CCCNc4c5CCCCc5nc6ccccc46
SMILESOpenEye OEToolkits1.5.0c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCCCSc4c5ccccc5nc6c4CCCC6
Canonical SMILESCACTVS3.341 C(CCCCSc1c2CCCCc2nc3ccccc13)CCCNc4c5CCCCc5nc6ccccc46
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCCCSc4c5ccccc5nc6c4CCCC6
InChIInChI1.03 InChI=1S/C34H41N3S/c1(3-13-23-35-33-25-15-5-9-19-29(25)36-30-20-10-6-16-26(30)33)2-4-14-24-38-34-27-17-7-11-21-31(27)37-32-22-12-8-18-28(32)34/h5,7,9,11,15,17,19,21H,1-4,6,8,10,12-14,16,18,20,22-24H2,(H,35,36)
InChIKeyInChI1.03 COEYCPFFRLYNSC-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL129108
PubChem 6540271
ChEMBL CHEMBL129108