Structure

Piquindone

CAS
78541-97-6
Catalog Number
ACM78541976
Category
Other Products
Molecular Weight
246.352
Molecular Formula
C15H22N2O

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Specification

Synonyms
Piquindone, Piquindona, Piquindonum, Piquindone [INN], Piquindonum [Latin], Piquindona [Spanish], C15H22N2O, CID121903, Ro 22-1319, Ro-221319, Ro 22-2586, Ro-22-1319, Ro-22-2586, LS-177416, 4H-Pyrrolo(2,3-g)isoquinolin-4-one, 3-ethyl-1,4a,5,6,7,8,8a,9-octahydro-2,6-dimethyl-, trans-(+-)-, 2,6-dimethyl-3-ethyl-4,4a,5,6,7,8,8a,9-octahydro-4a,8a-1H-pyrrolo(2,3g)isoquinolin-4-one, 3-ethyl-2,6-dimethyl-4,4a,5,6,7,8,8a,9-octahydro-4a,8a-1H-pyrrolo(2,3g)isoquinolin-4-one, 78541-97-6
IUPAC Name
(4aS,8aS)-3-ethyl-2,6-dimethyl-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinolin-4-one
Canonical SMILES
CCC1=C(NC2=C1C(=O)C3CN(CCC3C2)C)C
InChI Key
PVZMYDPRVUCJKV-CMPLNLGQSA-N
Boiling Point
419ºC at 760 mmHg
Flash Point
207.2ºC
Density
1.103g/cm³
Exact Mass
246.17300
H-Bond Acceptor
2
H-Bond Donor
1
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