Structure

Sunagrel

CAS
85418-85-5
Catalog Number
ACM85418855
Category
Other Products
Molecular Weight
424.606
Molecular Formula
C25H32N2O2S

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Specification

Synonyms
Sunagrel, Sunagrelum, Sunagrel [INN], CID6445228, erythro-(4-Cinnamoyl)-alpha-(p-(isopropylthio)phenyl)-beta-1-piperazineethanol, erythro-2-(4-Cinnamoyl-1-piperazinyl)-1-(4-(isopropylthio)phenyl)-1-propanol, 85418-85-5
IUPAC Name
(Z)-1-[4-[1-hydroxy-1-(4-propan-2-ylsulfanylphenyl)propan-2-yl]piperazin-1-yl]-3-phenylprop-2-en-1-one
Canonical SMILES
CC(C)SC1=CC=C(C=C1)C(C(C)N2CCN(CC2)C(=O)C=CC3=CC=CC=C3)O
InChI Key
UUHFEOMKFKXLCB-ZROIWOOFSA-N
Boiling Point
625.1ºC at 760 mmHg
Flash Point
331.9ºC
Density
1.18g/cm³
Exact Mass
424.21800
H-Bond Acceptor
3
H-Bond Donor
1
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