Structure

Fronepidil

CAS
79700-63-3
Catalog Number
ACM79700633
Category
Other Products
Molecular Weight
329.481
Molecular Formula
C21H31NO2

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Specification

Synonyms
Fronepidil, Fronepidil [INN], UNII-94JPL25DUK, CID219076, 79700-63-3
IUPAC Name
1-[1-(2-methylpropoxy)-3-(2-phenylbut-3-yn-2-yloxy)propan-2-yl]pyrrolidine
Canonical SMILES
CC(C)COCC(COC(C)(C#C)C1=CC=CC=C1)N2CCCC2
InChI Key
BFXRCMJRKTUNIQ-UHFFFAOYSA-N
Boiling Point
422.9ºC at 760 mmHg
Flash Point
118.3ºC
Density
1.022g/cm³
Exact Mass
329.23500
H-Bond Acceptor
3
H-Bond Donor
0
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