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Substance Name: Dihydroxyosmarine tetrachloride
RN: 57304-12-8
InChIKey: VTTGHTJJTPRCRL-UHFFFAOYSA-J

Classification Code

  • Organometallic

Molecular Formula

  • C68-H60-N12-O2-Os2.4Cl

Molecular Weight

  • 1599.576
 
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Names and Synonyms

Results Name

  • Dihydroxyosmarine tetrachloride

Synonyms

  • 1,4-Cyclohexanediol, 1,4-bis(2,2':6'2''-terpyridin-6-ylmethyl)-, osmium complex
  • DHO
  • Dihydroxyosmarine tetrachloride

Systematic Name

  • Osmium(4+), bis(2,2'-bipyridine-N,N')(mu-(1,4-bis((2,2':6',2''-terpyridin)-6-ylmethyl)-1,4-cyclohexanediol))bis(pyridine)di-, tetrachloride

Registry Numbers

CAS Registry Number

  • 57304-12-8

System Generated Number

  • 0057304128

Molecular Formulas

Molecular Formula

  • C68-H60-N12-O2-Os2.4Cl

Molecular Formula Fragments

  • C68-H60-N12-O2-Os2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C38H34N6O2.2C10H8N2.2C5H5N.4ClH.2Os/c45-37(25-27-9-5-13-33(41-27)35-17-7-15-31(43-35)29-11-1-3-23-39-29)19-21-38(46,22-20-37)26-28-10-6-14-34(42-28)36-18-8-16-32(44-36)30-12-2-4-24-40-30;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2-4-6-5-3-1;;;;;;/h1-18,23-24,45-46H,19-22,25-26H2;2*1-8H;2*1-5H;4*1H;;/q;;;;;;;;;2*+1/p-4

InChIKey

VTTGHTJJTPRCRL-UHFFFAOYSA-J

Smiles

c1ccncc1.c1ccncc1.c1ccnc(c1)c2ccccn2.c1ccnc(c1)c2ccccn2.c1ccnc(c1)c2cccc(n2)c3cccc(n3)CC4(CCC(CC4)(Cc5cccc(n5)c6cccc(n6)c7ccccn7)O)O.[Cl-].[Cl-].[Cl-].[Cl-].[Os+].[Os+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 128ug/kg (0.128mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 1088, 1975.