1,1''-Biferrocene
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Product Description
Product
1,1''-Biferrocene
CAS
1287-38-3
Formula
C20H18Fe2
Synonym
2-{1-[(2-Cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-[2-(3-methoxyphenyl)-2-oxoethylthio]piperidin-3-ylidene}acetic acid hydrochloride; Prasugrel metabolite M3
Typical Product Specifications
Molecular weight
370.05
InChI
1S/C10H8.2C5H5.2Fe/c1-2-6-9(5-1)10-7-3-4-8-10;2*1-2-4-5-3-1;;/h1-8H;2*1-5H;;
InChIKey
ILDGEDCDTIJNHV-UHFFFAOYSA-N
Molecular weight
418.49
EINECS
204-909-5
SMILES
c12c(c(Nc3ccc(cc3)C)ccc1Nc1ccc(cc1)C)C(=O)c1c(C2=O)cccc1
InChI
1S/C28H22N2O2/c1-17-7-11-19(12-8-17)29-23-15-16-24(30-20-13-9-18(2)10-14-20)26-25(23)27(31)21-5-3-4-6-22(21)28(26)32/h3-16,29-30H,1-2H3
InChIKey
TVRGPOFMYCMNRB-UHFFFAOYSA-N
Atmospheric OH Rate Constant
2.00E-10 cm3/molecule-sec
log P (octanol-water)
8.690
Melting Point
218 ° C
Merck
8065
Melting Point
220-221 °C
Colour Index
61565
Chemical Structure
Class
Industry
1,1''-Biferrocene
Product Description
Product
1,1''-Biferrocene
CAS
1287-38-3
Formula
C20H18Fe2
Synonym
2-{1-[(2-Cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-[2-(3-methoxyphenyl)-2-oxoethylthio]piperidin-3-ylidene}acetic acid hydrochloride; Prasugrel metabolite M3
Typical Product Specifications
Molecular weight
370.05
InChI
1S/C10H8.2C5H5.2Fe/c1-2-6-9(5-1)10-7-3-4-8-10;2*1-2-4-5-3-1;;/h1-8H;2*1-5H;;
InChIKey
ILDGEDCDTIJNHV-UHFFFAOYSA-N
Molecular weight
418.49
EINECS
204-909-5
SMILES
c12c(c(Nc3ccc(cc3)C)ccc1Nc1ccc(cc1)C)C(=O)c1c(C2=O)cccc1
InChI
1S/C28H22N2O2/c1-17-7-11-19(12-8-17)29-23-15-16-24(30-20-13-9-18(2)10-14-20)26-25(23)27(31)21-5-3-4-6-22(21)28(26)32/h3-16,29-30H,1-2H3
InChIKey
TVRGPOFMYCMNRB-UHFFFAOYSA-N
Atmospheric OH Rate Constant
2.00E-10 cm3/molecule-sec
log P (octanol-water)
8.690
Melting Point
218 ° C
Merck
8065
Melting Point
220-221 °C
Colour Index
61565
Chemical Structure
Class
Industry
