Ecopipam
(6aS,13bR)-11-chloro-7-methyl-5,6,6a,8,9,13b-hexahydronaphtho[1,2-a][3]benzazepin-12-ol
Molecular Identity
Ecopipam
(6aS,13bR)-11-chloro-7-methyl-5,6,6a,8,9,13b-hexahydronaphtho[1,2-a][3]benzazepin-12-ol
PubChem CID: 107930
(6aS,13bR)-11-chloro-7-methyl-5,6,6a,8,9,13b-hexahydronaphtho[1,2-a][3]benzazepin-12-ol is a benzazepine.
2D Structure
Properties
C19H20ClNO
Molecular Formula
313.80
Molecular Weight
g/mol
313.1233
Exact Mass
Da
4.4
XLogP
Drug-like (Lipinski: < 5)
23.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
2
H-Bond Acceptors
403
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Ecopipam112108-01-7Sch-39166Sch39166DTXSID80438140X748O646KDTXCID6023814(6aS,13bR)-11-chloro-7-methyl-6,6a,7,8,9,13b-hexahydro-5H-benzo[d]naphtho[2,1-b]azepin-12-ol5H-Benzo(d)naphth(2,1-b)azepin-12-ol, 11-chloro-6,6a,7,8,9,13b-hexahydro-7-methyl-, trans-(-)-ecopipamum(6aS,13bR)-11-chloro-7-methyl-6,6a,7,8,9,13b-hexahydro-5H-benzo(d)naphtho(2,1-b)azepin-12-olRefChem:136266(1R,11S)-5-chloro-10-methyl-10-azatetracyclo(9.8.0.02,?.01?,1?)nonadeca-2,4,6,14,16,18-hexaen-4-olEcopipam [INN]PSYRX-101
Data from PubChem (NCBI)
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