8UP

8-(3-bromopropoxy)-7-methoxynaphthalene-2-carboximidamide

Created:	2012-07-01
Last modified:	2012-07-01

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1 entries where 8UP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	38
Aromatic Bond Count	11

2D diagram of 8UP

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Chemical Component Summary
Name	8-(3-bromopropoxy)-7-methoxynaphthalene-2-carboximidamide
Systematic Name (OpenEye OEToolkits)	8-(3-bromanylpropoxy)-7-methoxy-naphthalene-2-carboximidamide
Formula	C₁₅ H₁₇ Br N₂ O₂
Molecular Weight	337.212
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	BrCCCOc1c2c(ccc1OC)ccc(c2)C(=[N@H])N
SMILES	CACTVS	3.370	COc1ccc2ccc(cc2c1OCCCBr)C(N)=N
SMILES	OpenEye OEToolkits	1.7.6	COc1ccc2ccc(cc2c1OCCCBr)C(=N)N
Canonical SMILES	CACTVS	3.370	COc1ccc2ccc(cc2c1OCCCBr)C(N)=N
Canonical SMILES	OpenEye OEToolkits	1.7.6	[H]/N=C(/c1ccc2ccc(c(c2c1)OCCCBr)OC)\N
InChI	InChI	1.03	InChI=1S/C15H17BrN2O2/c1-19-13-6-5-10-3-4-11(15(17)18)9-12(10)14(13)20-8-2-7-16/h3-6,9H,2,7-8H2,1H3,(H3,17,18)
InChIKey	InChI	1.03	IQSSJVGPYCFBSQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	21706931
ChEMBL	CHEMBL559698

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