BMO

N-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9-YLAMINO)PROPYL]PROPANE-1,3-DIAMINE

Created:	2006-04-25
Last modified:	2020-05-26

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1 entries where BMO is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	68
Chiral Atom Count	0
Bond Count	73
Aromatic Bond Count	32

2D diagram of BMO

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Chemical Component Summary
Name	N-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9-YLAMINO)PROPYL]PROPANE-1,3-DIAMINE
Synonyms	1,3-PROPANEDIAMINE; N-9-ACRIDINYL-N -[3-(9-ACRIDINYLAMINO)PROPYL]
Systematic Name (OpenEye OEToolkits)	N'-acridin-9-yl-N-[3-(acridin-9-ylamino)propyl]propane-1,3-diamine
Formula	C₃₂ H₃₁ N₅
Molecular Weight	485.622
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n2c1c(cccc1)c(c3c2cccc3)NCCCNCCCNc4c6c(nc5c4cccc5)cccc6
SMILES	CACTVS	3.341	C(CNCCCNc1c2ccccc2nc3ccccc13)CNc4c5ccccc5nc6ccccc46
SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)c(c3ccccc3n2)NCCCNCCCNc4c5ccccc5nc6c4cccc6
Canonical SMILES	CACTVS	3.341	C(CNCCCNc1c2ccccc2nc3ccccc13)CNc4c5ccccc5nc6ccccc46
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)c(c3ccccc3n2)NCCCNCCCNc4c5ccccc5nc6c4cccc6
InChI	InChI	1.03	InChI=1S/C32H31N5/c1-5-15-27-23(11-1)31(24-12-2-6-16-28(24)36-27)34-21-9-19-33-20-10-22-35-32-25-13-3-7-17-29(25)37-30-18-8-4-14-26(30)32/h1-8,11-18,33H,9-10,19-22H2,(H,34,36)(H,35,37)
InChIKey	InChI	1.03	WGBHBVVVCBOHMA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	153631
ChEMBL	CHEMBL290527

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