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Itazigrel
[CAS# 70529-35-0]

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CAS#: 70529-35-0
Product: Itazigrel
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Identification
Name Itazigrel
Synonyms 4,5-Bis(4-Methoxyphenyl)-2-(Trifluoromethyl)Thiazole; Ly 108048; Itazogrel
Molecular Structure CAS#: 70529-35-0, Itazigrel
Molecular Formula C18H14F3NO2S
Molecular Weight 365.37
CAS Registry Number 70529-35-0
SMILES C3=C(C2=C(C1=CC=C(C=C1)OC)SC(=N2)C(F)(F)F)C=CC(=C3)OC
InChI 1S/C18H14F3NO2S/c1-23-13-7-3-11(4-8-13)15-16(25-17(22-15)18(19,20)21)12-5-9-14(24-2)10-6-12/h3-10H,1-2H3
InChIKey CIPBQTCSXVEDSG-UHFFFAOYSA-N
Properties
Density 1.286g/cm3 (Cal.)
Boiling point 400.332°C at 760 mmHg (Cal.)
Flash point 195.914°C (Cal.)
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