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129385-59-7

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129385-59-7 Structure

129385-59-7 Structure
IdentificationBack Directory
[Name]

trans-(+/-)-11-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one
[CAS]

129385-59-7
[Synonyms]

Asenapine Impurity 1
Asenapine pharMaceutical interMediate
trans-11-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz-[2,...
trans-(+/-)-11-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz2,3
trans-11-Chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-1-one
Trans-11-Chloro-2,3,3A,12B-Tetrahyero-2-Methyl-1H-Dibenz(2,3:6,7)oxepino (4,5-c)pyrrol-1-one
Trans-11-chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7] oxepino[4,5-c]pyrrol-1-one(TOP)
(3aS,12bS)-11-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-1-one
trans-(+/-)-11-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one
(3aR,12bR)-11-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-1-one
Trans-(+/-)-11-Chloro-2,3,3a,12b-tetrahydro-2-Methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrole-1-one
1H-Dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one,11-chloro-2,3,3a,12b-tetrahydro-2-methyl-, (3aR,12bR)-rel-
cis-trans Mixture-11-Chloro-2,3,3a,12b-tetrahydro-2-Methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one
Trans-(+/-)-11-chloro-2,3,3a, 12b-tetrahydro-2-methyl-1H-dibenzo [2,3: 6,7] oxazepine [4, 5-c] pyrrole-1-one
trans-11-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz-[2,3:6,7]-oxepino-[4,5-c]-pyrrol-1-one (asenapine base)
[Molecular Formula]

C17H14ClNO2
[MDL Number]

MFCD15145474
[MOL File]

129385-59-7.mol
[Molecular Weight]

299.75
Chemical PropertiesBack Directory
[Boiling point ]

428.4±45.0 °C(Predicted)
[density ]

1.311
[storage temp. ]

Sealed in dry,Store in freezer, under -20°C
[pka]

-0.70±0.20(Predicted)
[InChI]

InChI=1/C17H14ClNO2/c1-19-9-13-11-4-2-3-5-14(11)21-15-7-6-10(18)8-12(15)16(13)17(19)20/h2-8,13,16H,9H2,1H3/t13-,16-/s3
[InChIKey]

OOUVAHYYJVOIIB-PHJLSVTMNA-N
[SMILES]

N1(C)C[C@@]2([H])C3=CC=CC=C3OC3=CC=C(Cl)C=C3[C@]2([H])C1=O |&1:3,19,r|
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Uses]

rel-(3aR,12bR)-11-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one is a decomposition compound of Org 5222, a new potential antipsychotic compound.
Spectrum DetailBack Directory
[Spectrum Detail]

trans-(+/-)-11-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one(129385-59-7)1HNMR
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