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68113

Supelco

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
MDL number:
UNSPSC Code:
41116107
PubChem Substance ID:

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 Code

13 - Non Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable


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