68113
2-{1-[(2-Cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-[2-(3-methoxyphenyl)-2-oxoethylthio]piperidin-3-ylidene}acetic acid hydrochloride
analytical standard
Synonym(s):
Prasugrel metabolite M3
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About This Item
Empirical Formula (Hill Notation):
C27H28FNO5S · HCl
CAS Number:
Molecular Weight:
534.04
UNSPSC Code:
41116107
PubChem Substance ID:
MDL number:
grade
analytical standard
assay
≥97.0% (sum of diastereomers, HPLC)
shelf life
limited shelf life, expiry date on the label
technique(s)
HPLC: suitable, gas chromatography (GC): suitable
application(s)
pharmaceutical
format
neat
storage temp.
−20°C
SMILES string
O=C(C1CC1)C(N2CCC(SCC(C3=CC(OC)=CC=C3)=O)/C(C2)=C\C(O)=O)C4=CC=CC=C4F.Cl
InChI
1S/C27H28FNO5S.ClH/c1-34-20-6-4-5-18(13-20)23(30)16-35-24-11-12-29(15-19(24)14-25(31)32)26(27(33)17-9-10-17)21-7-2-3-8-22(21)28;/h2-8,13-14,17,24,26H,9-12,15-16H2,1H3,(H,31,32);1H/b19-14-;
InChI key
IXPJVHUXCREIQM-YEBWQKSTSA-N
Application
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
Storage Class
13 - Non Combustible Solids
WGK
WGK 3
Flash Point (°F)
Not applicable
Flash Point (°C)
Not applicable
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