ChemicalBook--->CAS DataBase List--->112108-01-7

112108-01-7

112108-01-7 Structure

112108-01-7 Structure
IdentificationBack Directory
[Name]

Sch 39166
[CAS]

112108-01-7
[Synonyms]

Ecopipam
PSYRX 101
Sch 39166
Ecopipam-d4
Ecopipam [inn]
Unii-0X748o646k
[13C6]-Ecopipam
ECOPIPAM(6 AS,13 BR)-FORM
6,7,7A,8,9,13B-Hexahydro-3-chloro-2-hydroxy-N-methyl-5H-benzo(D)naphtho(2,1B)azepine
(6aS)-11-Chloro-6,6aβ,7,8,9,13bα-hexahydro-7-methyl-5H-benzo[d]naphth[2,1-b]azepin-12-ol
(6aβ,13bα)-11-Chloro-6,6a,7,8,9,13b-hexahydro-7-methyl-5H-benzo[d]naphth[2,1-b]azepin-12-ol
(6aS,13bR)-11-Chloro-6,6a,7,8,9,13b-hexahydro-7-methyl-5H-benzo[d]naphth[2,1-b]azepin-12-ol
5H-Benzo(D)naphth(2,1-B)azepin-12-ol, 11-chloro-6,6A,7,8,9,13B-hexahydro-7-methyl-, trans-(-)-
5H-Benzo(D)naphth(2,1-B)azepin-12-ol, 11-chloro-6,6A,7,8,9,13B-hexahydro-7-methyl-, (6as,13br)-
(-)-(6aS,13bR)-11-Chloro-12-hydroxy-7-methyl-6,6a,7,8,9,13b-hexahydro-5H-benzo[d]naphtho[2,1-d]azepine
[Molecular Formula]

C19H20ClNO
[MDL Number]

MFCD00870643
[MOL File]

112108-01-7.mol
[Molecular Weight]

313.82
Chemical PropertiesBack Directory
[Boiling point ]

451.9±45.0 °C(Predicted)
[density ]

1.220±0.06 g/cm3(Predicted)
[pka]

8.73±0.20(Predicted)
Hazard InformationBack Directory
[Uses]

Ecopipam-d4 is deuterium labeled Ecopipam.
[Definition]

ChEBI: (6aS,13bR)-11-chloro-7-methyl-5,6,6a,8,9,13b-hexahydronaphtho[1,2-a][3]benzazepin-12-ol is a benzazepine.
[References]

[1] Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216. DOI:10.1177/1060028018797110
Spectrum DetailBack Directory
[Spectrum Detail]

Sch 39166(112108-01-7)1HNMR
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