Registration Dossier

General information

Inventory

EC number:
439-750-2
EC name:
-
CAS number:
-
Description:
T002113

No inventory information available

Reference substance information

IUPAC name:
(14S)-4-bromo-2-methoxy-7-methyl-17-oxa-7-azatetracyclo[12.2.1.0⁵,¹⁶.0¹⁰,¹⁵]heptadeca-1,3,5(16),10-tetraen-12-one hydrochloride
Synonyms
Names:
Identifier:
EC number
439-750-2
(4aR*,8aR*)-1-bromo-4a,5,9,10,11,12- hexahydro-3-methoxy-11-methyl-6H-ben zofuro[3a,3,2-ef][2]benzazepin-6-one hydrochloride

CAS information

CAS number:
183487-56-1

Molecular and structural information

Molecular formula:
Hill formula: C17H19BrClNO3
CAS formula: C17H19BrClNO3
Molecular weight:
400.7
SMILES notation:
Cl.COc1cc(Br)c2CN(C)CC[C@]34C=CC(=O)C[C@H]3Oc1c24
InChl:
InChI=1S/C17H18BrNO3.ClH/c1-19-6-5-17-4-3-10(20)7-14(17)22-16-13(21-2)8-12(18)11(9-19)15(16)17;/h3-4,8,14H,5-7,9H2,1-2H3;1H/t14-,17-;/m1./s1
Structural formula:
Chemical structure