6XM

8,12-bis(2-morpholinoethyl)-8H-benzo[ij]xantheno[1,9,8-cdef][2,7]naphthyridin-12-iumhexafluorophosphate

Created:2016-07-15
Last modified:  2018-02-27

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Chemical Details

Formal Charge0
Atom Count72
Chiral Atom Count1
Bond Count79
Aromatic Bond Count18
2D diagram of 6XM

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Chemical Component Summary

Name8,12-bis(2-morpholinoethyl)-8H-benzo[ij]xantheno[1,9,8-cdef][2,7]naphthyridin-12-iumhexafluorophosphate
FormulaC31 H34 N4 O3
Molecular Weight510.627
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385C1CN(CCO1)CCN2c3cccc4Oc5cccc6N(CCN7CCOCC7)c8cccc2c8[CH](c34)c56
SMILESOpenEye OEToolkits2.0.6c1cc2c3c(c1)N(c4cccc5c4C3c6c(cccc6O5)N2CCN7CCOCC7)CCN8CCOCC8
Canonical SMILESCACTVS3.385 C1CN(CCO1)CCN2c3cccc4Oc5cccc6N(CCN7CCOCC7)c8cccc2c8[C@@H](c34)c56
Canonical SMILESOpenEye OEToolkits2.0.6 c1cc2c3c(c1)N(c4cccc5c4C3c6c(cccc6O5)N2CCN7CCOCC7)CCN8CCOCC8
InChIInChI1.03 InChI=1S/C31H34N4O3/c1-4-22-28-23(5-1)35(13-11-33-16-20-37-21-17-33)25-7-3-9-27-30(25)31(28)29-24(6-2-8-26(29)38-27)34(22)12-10-32-14-18-36-19-15-32/h1-9,31H,10-21H2
InChIKeyInChI1.03 JDODSALIMITEDK-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 137348543