[(2R,2'S)-2,2'-bipiperidinato(2-)-kappa(2)N(1),N(1')][N,N-dimethyl-3-{4-[(4aR)-1,2,4a,10-tetrahydro-1,10-phenanthrolin-4-yl-kappa(2)N(1),N(10)]butoxy}anilinato(2-)][(6S)-6-[(2R)-piperidin-2-yl-kappaN]-1,2,3,6-tetrahydropyridinato(2-)-kappaN]ruthenium (CHEBI:47644)

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CHEBI:47644 - [(2R,2'S)-2,2'-bipiperidinato(2−)-κ²N¹,N^1'][N,N-dimethyl-3-{4-[(4aR)-1,2,4a,10-tetrahydro-1,10-phenanthrolin-4-yl-κ²N¹,N¹⁰]butoxy}anilinato(2−)][(6S)-6-[(2R)-piperidin-2-yl-κN]-1,2,3,6-tetrahydropyridinato(2−)-κN]ruthenium

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ChEBI ID	CHEBI:47644
ChEBI Name	[(2R,2'S)-2,2'-bipiperidinato(2−)-κ²N¹,N^1'][N,N-dimethyl-3-{4-[(4aR)-1,2,4a,10-tetrahydro-1,10-phenanthrolin-4-yl-κ²N¹,N¹⁰]butoxy}anilinato(2−)][(6S)-6-[(2R)-piperidin-2-yl-κN]-1,2,3,6-tetrahydropyridinato(2−)-κN]ruthenium
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ASCII Name	[(2R,2'S)-2,2'-bipiperidinato(2-)-kappa(2)N(1),N(1')][N,N-dimethyl-3-{4-[(4aR)-1,2,4a,10-tetrahydro-1,10-phenanthrolin-4-yl-kappa(2)N(1),N(10)]butoxy}anilinato(2-)][(6S)-6-[(2R)-piperidin-2-yl-kappaN]-1,2,3,6-tetrahydropyridinato(2-)-kappaN]ruthenium
Last Modified	12 March 2008
Downloads	Molfile

Formula	C44H61N7ORu
Net Charge	0
Average Mass	805.090
Monoisotopic Mass	805.39811
SMILES	[H]C1=C2C([H])=C([H])[C@@]3([H])C4=C2[N](C([H])=C1[H])[Ru@OH23]12([N]4C([H])([H])C([H])=C3C([H])([H])C([H])([H])C([H])([H])C([H])([H])Oc3c([H])c([H])c([H])c(N(C([H])([H])[H])C([H])([H])[H])c3[H])([N]3C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]3([H])[C@]3([H])[N]1C([H])([H])C([H])([H])C([H])([H])C3([H])[H])[N]1C([H])([H])C([H])([H])C([H])=C([H])[C@@]1([H])[C@]1([H])[N]2C([H])([H])C([H])([H])C([H])([H])C1([H])[H]
InChI	InChI=1S/C24H27N3O.C10H18N2.C10H16N2.Ru/c1-27(2)20-9-5-10-21(17-20)28-16-4-3-7-18-13-15-26-24-22(18)12-11-19-8-6-14-25-23(19)24;21-3-7-11-9(5-1)10-6-2-4-8-12-10;/h5-6,8-14,17,22H,3-4,7,15-16H2,1-2H3;9-10H,1-8H2;1,5,9-10H,2-4,6-8H2;/q3-2;+6/t22-;2*9-,10+;/m1.0./s1
InChIKey	LKBNPCYTIAPTEX-YLMHAXQNSA-N

ChEBI Ontology

Outgoing Relation(s)
	[(2R,2'S)-2,2'-bipiperidinato(2−)-κ²N¹,N^1'][N,N-dimethyl-3-{4-[(4aR)-1,2,4a,10-tetrahydro-1,10-phenanthrolin-4-yl-κ²N¹,N¹⁰]butoxy}anilinato(2−)][(6S)-6-[(2R)-piperidin-2-yl-κN]-1,2,3,6-tetrahydropyridinato(2−)-κN]ruthenium (CHEBI:47644) is a bipiperidines (CHEBI:48576)
	[(2R,2'S)-2,2'-bipiperidinato(2−)-κ²N¹,N^1'][N,N-dimethyl-3-{4-[(4aR)-1,2,4a,10-tetrahydro-1,10-phenanthrolin-4-yl-κ²N¹,N¹⁰]butoxy}anilinato(2−)][(6S)-6-[(2R)-piperidin-2-yl-κN]-1,2,3,6-tetrahydropyridinato(2−)-κN]ruthenium (CHEBI:47644) is a phenanthrolines (CHEBI:48835)
	[(2R,2'S)-2,2'-bipiperidinato(2−)-κ²N¹,N^1'][N,N-dimethyl-3-{4-[(4aR)-1,2,4a,10-tetrahydro-1,10-phenanthrolin-4-yl-κ²N¹,N¹⁰]butoxy}anilinato(2−)][(6S)-6-[(2R)-piperidin-2-yl-κN]-1,2,3,6-tetrahydropyridinato(2−)-κN]ruthenium (CHEBI:47644) is a ruthenium coordination entity (CHEBI:35733)

Synonyms	Source
[(2R,2'S)-2,2'-bipiperidinato(2-)-kappa~2~N~1~,N~1'~][N,N-dimethyl-3-{4-[(4aR)-1,2,4a,10-tetrahydro-1,10-phenanthrolin-4-yl-kappa~2~N~1~,N~10~]butoxy}anilinato(2-)][(6S)-6-[(2R)-piperidin-2-yl-kappaN]-1,2,3,6-tetrahydropyridinato(2-)-kappaN]ruthenium	PDBeChem
bis[1H,1'H-2,2'-bipyridinato(2-)-kappa~2~N~1~,N~1'~]{3-[4-(1,10-dihydro-1,10-phenanthrolin-4-yl-kappa~2~N~1~,N~10~)butoxy]-N,N-dimethylanilinato(2-)}ruthenium	PDBeChem

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