nitro-Grela
Product Information
Molecular Formula
C31H37Cl2N3O3Ru
Molecular Weight
671.63
Description
Nitro-Grela is an advanced biomedical product with remarkable versatility and finds profound application in combatting multifarious cancer types such as breast, lung, and colon cancers. Intriguingly, its formidable composition encompasses nitro groups, bestowing intensified efficacy upon its cancer cell growth suppression potential.
Synonyms
[1,3-Bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro[(2-isopropoxy-5-nitrobenzylidene)]ruthenium(II)
IUPAC Name
[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichloro-[(5-nitro-2-propan-2-yloxyphenyl)methylidene]ruthenium
SMILES
CC1=CC(=C(C(=C1)C)N2CCN(C2=[Ru](=CC3=C(C=CC(=C3)[N+](=O)[O-])OC(C)C)(Cl)Cl)C4=C(C=C(C=C4C)C)C)C
InChI
InChI=1S/C21H26N2.C10H11NO3.2ClH.Ru/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)61-7(2)14-10-5-4-9(11(12)13)6-8(10)3/h9-12H,7-8H2,1-6H33-7H,1-2H32*1H/q+2/p-2
InChI Key
RQQSRSPQJIAORC-UHFFFAOYSA-L
Purity
>97.0%(HPLC)
Appearance
Green to Dark green powder to crystal
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
5
Exact Mass
671.125538 g/mol
Monoisotopic Mass
671.125538 g/mol
Topological Polar Surface Area
61.5Ų
Heavy Atom Count
40
Formal Charge
0
Complexity
954
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
