[2,2'-bipiperidinato(2-)-kappa(2)N(1),N(1')][(1R,3S,5R,7R)-N-[(2R,2'S,3S,3'R,5R,5'S,6S,6'S)-2,2',3,3',5,5',6,6'-octafluoro-4'-({(2R,4S)-2-[(2S)-4-methyl-1,2,5,6-tetrahydropyridin-2-yl-kappaN]piperidin-4-yl-kappaN}methyl)-1,1'-bi(cyclohexyl)-4-yl]tricyclo[3.3.1.1(3.7)]decan-2-aminato(2-)][3,4,5',6'-tetrahydro-1H,1'H-2,2'-bipyridinato(2-)-kappa(2)N(1),N(1')]ruthenium(2+) (CHEBI:47654)

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CHEBI:47654 - [2,2'-bipiperidinato(2−)-κ²N¹,N^1'][(1R,3S,5R,7R)-N-[(2R,2'S,3S,3'R,5R,5'S,6S,6'S)-2,2',3,3',5,5',6,6'-octafluoro-4'-({(2R,4S)-2-[(2S)-4-methyl-1,2,5,6-tetrahydropyridin-2-yl-κN]piperidin-4-yl-κN}methyl)-1,1'-bi(cyclohexyl)-4-yl]tricyclo[3.3.1.1^3.7]decan-2-aminato(2−)][3,4,5',6'-tetrahydro-1H,1'H-2,2'-bipyridinato(2−)-κ²N¹,N^1']ruthenium(2+)

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ChEBI ID	CHEBI:47654
ChEBI Name	[2,2'-bipiperidinato(2−)-κ²N¹,N^1'][(1R,3S,5R,7R)-N-[(2R,2'S,3S,3'R,5R,5'S,6S,6'S)-2,2',3,3',5,5',6,6'-octafluoro-4'-({(2R,4S)-2-[(2S)-4-methyl-1,2,5,6-tetrahydropyridin-2-yl-κN]piperidin-4-yl-κN}methyl)-1,1'-bi(cyclohexyl)-4-yl]tricyclo[3.3.1.1^3.7]decan-2-aminato(2−)][3,4,5',6'-tetrahydro-1H,1'H-2,2'-bipyridinato(2−)-κ²N¹,N^1']ruthenium(2+)
Stars
ASCII Name	[2,2'-bipiperidinato(2-)-kappa(2)N(1),N(1')][(1R,3S,5R,7R)-N-[(2R,2'S,3S,3'R,5R,5'S,6S,6'S)-2,2',3,3',5,5',6,6'-octafluoro-4'-({(2R,4S)-2-[(2S)-4-methyl-1,2,5,6-tetrahydropyridin-2-yl-kappaN]piperidin-4-yl-kappaN}methyl)-1,1'-bi(cyclohexyl)-4-yl]tricyclo[3.3.1.1(3.7)]decan-2-aminato(2-)][3,4,5',6'-tetrahydro-1H,1'H-2,2'-bipyridinato(2-)-kappa(2)N(1),N(1')]ruthenium(2+)
Last Modified	6 March 2008
Downloads	Molfile

Formula	C54H75F8N7Ru
Net Charge	+2
Average Mass	1075.297
Monoisotopic Mass	1075.49887
SMILES	[H]C1=C([H])C([H])([H])C([H])([H])[N]2C1=C1[N](C([H])=C([H])C([H])([H])C1([H])[H])[Ru+2]213([N]2C(=C4[N]1C([H])([H])C([H])([H])C([H])([H])C4([H])[H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])[N]1C([H])([H])C([H])([H])C(C([H])([H])[H])=C([H])[C@@]1([H])[C@]1([H])[N]3C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[C@]2([H])[C@@]([H])(F)[C@@]([H])(F)[C@@]([H])([C@@]3([H])[C@@]([H])(F)[C@@]([H])(F)[C@@]([H])(N([H])[C@]4([H])[C@@]5([H])C([H])([H])[C@]6([H])C([H])([H])[C@]([H])(C5([H])[H])C([H])([H])[C@@]4([H])C6([H])[H])[C@@]([H])(F)[C@@]3([H])F)[C@]([H])(F)[C@@]2([H])F)C1([H])[H]
InChI	InChI=1S/C34H47F8N3.C10H16N2.C10H12N2.Ru/c1-14-2-4-43-21(6-14)22-13-15(3-5-44-22)12-20-25(35)27(37)23(28(38)26(20)36)24-29(39)31(41)34(32(42)30(24)40)45-33-18-8-16-7-17(10-18)11-19(33)9-16;21-3-7-11-9(5-1)10-6-2-4-8-12-10;/h6,15-34,45H,2-5,7-13H2,1H3;1-8H2;1,4-5,8H,2-3,6-7H2;/q3-2;+8/b;2*10-9-;/t15-,16-,17+,18-,19+,20-,21+,22-,23-,24-,25-,26+,27+,28+,29+,30-,31+,32-,33-,34+;;;/m1.../s1
InChIKey	QXSHRHKMCRAIGC-WUASNEJGSA-N

ChEBI Ontology

Outgoing Relation(s)
	[2,2'-bipiperidinato(2−)-κ²N¹,N^1'][(1R,3S,5R,7R)-N-[(2R,2'S,3S,3'R,5R,5'S,6S,6'S)-2,2',3,3',5,5',6,6'-octafluoro-4'-({(2R,4S)-2-[(2S)-4-methyl-1,2,5,6-tetrahydropyridin-2-yl-κN]piperidin-4-yl-κN}methyl)-1,1'-bi(cyclohexyl)-4-yl]tricyclo[3.3.1.1^3.7]decan-2-aminato(2−)][3,4,5',6'-tetrahydro-1H,1'H-2,2'-bipyridinato(2−)-κ²N¹,N^1']ruthenium(2+) (CHEBI:47654) is a bipiperidines (CHEBI:48576)
	[2,2'-bipiperidinato(2−)-κ²N¹,N^1'][(1R,3S,5R,7R)-N-[(2R,2'S,3S,3'R,5R,5'S,6S,6'S)-2,2',3,3',5,5',6,6'-octafluoro-4'-({(2R,4S)-2-[(2S)-4-methyl-1,2,5,6-tetrahydropyridin-2-yl-κN]piperidin-4-yl-κN}methyl)-1,1'-bi(cyclohexyl)-4-yl]tricyclo[3.3.1.1^3.7]decan-2-aminato(2−)][3,4,5',6'-tetrahydro-1H,1'H-2,2'-bipyridinato(2−)-κ²N¹,N^1']ruthenium(2+) (CHEBI:47654) is a organofluorine compound (CHEBI:37143)
	[2,2'-bipiperidinato(2−)-κ²N¹,N^1'][(1R,3S,5R,7R)-N-[(2R,2'S,3S,3'R,5R,5'S,6S,6'S)-2,2',3,3',5,5',6,6'-octafluoro-4'-({(2R,4S)-2-[(2S)-4-methyl-1,2,5,6-tetrahydropyridin-2-yl-κN]piperidin-4-yl-κN}methyl)-1,1'-bi(cyclohexyl)-4-yl]tricyclo[3.3.1.1^3.7]decan-2-aminato(2−)][3,4,5',6'-tetrahydro-1H,1'H-2,2'-bipyridinato(2−)-κ²N¹,N^1']ruthenium(2+) (CHEBI:47654) is a ruthenium coordination entity (CHEBI:35733)
	[2,2'-bipiperidinato(2−)-κ²N¹,N^1'][(1R,3S,5R,7R)-N-[(2R,2'S,3S,3'R,5R,5'S,6S,6'S)-2,2',3,3',5,5',6,6'-octafluoro-4'-({(2R,4S)-2-[(2S)-4-methyl-1,2,5,6-tetrahydropyridin-2-yl-κN]piperidin-4-yl-κN}methyl)-1,1'-bi(cyclohexyl)-4-yl]tricyclo[3.3.1.1^3.7]decan-2-aminato(2−)][3,4,5',6'-tetrahydro-1H,1'H-2,2'-bipyridinato(2−)-κ²N¹,N^1']ruthenium(2+) (CHEBI:47654) is a tricycloalkane (CHEBI:48618)

Synonyms	Source
[2,2'-bipiperidinato(2-)-kappa~2~N~1~,N~1'~][(1R,3S,5R,7R)-N-[(2R,2'S,3S,3'R,5R,5'S,6S,6'S)-2,2',3,3',5,5',6,6'-octafluoro-4'-({(2R,4S)-2-[(2S)-4-methyl-1,2,5,6-tetrahydropyridin-2-yl-kappaN]piperidin-4-yl-kappaN}methyl)-1,1'-bi(cyclohexyl)-4-yl]tricyclo[3.3.1.1~3,7~]decan-2-aminato(2-)][3,4,5',6'-tetrahydro-1H,1'H-2,2'-bipyridinato(2-)-kappa~2~N~1~,N~1'~]ruthenium(2+)	PDBeChem
DELTA-BIS(2,2'-BIPYRIDINE)-(5-METHYL-2-2'-BIPYRIDINE)-C2-ADAMANTANE RUTHENIUM (II)	PDBeChem

Manual Xrefs	Databases
RFA	PDBeChem