Chem
J-GLOBAL ID：200907074531685141   Nikkaji number：J19.993A

Oxetorone

オキセトロン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C21H21NO2
Molecular formula furigana： C21-H21-N-O2
Molecular weight： 319.404
InChI： InChI=1S/C21H21NO2/c1-22(2)13-7-10-17-15-8-3-5-11-19(15)23-14-18-16-9-4-6-12-20(16)24-21(17)18/h3-6,8-12H,7,13-14H2,1-2H3
InChI key： VZVRZTZPHOHSCK-UHFFFAOYSA-N
SMILES： CN(C)CCC=C1c2oc3ccccc3c2COc2ccccc12
Systematic name  (4)：
  • 3-[ベンゾフロ[3,2-c][1]ベンゾオキセピン-6(12H)-イリデン]-N,N-ジメチルプロパン-1-アミン
  • 3-(ベンゾフロ[3,2-c][1]ベンゾオキセピン-6(12H)-イリデン)-N,N-ジメチルプロパン-1-アミン
  • (3-{9,18-ジオキサテトラシクロ[9.7.0.03,8.012,17]オクタデカ-1(11),3,5,7,12,14,16-ヘプタエン-2-イリデン}プロピル)ジメチルアミン
  • (3-{9,18-dioxatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),3,5,7,12,14,16-heptaen-2-ylidene}propyl)dimethylamine
Other name (3)：
  • オキセトロン
  • Oxetorone
  • 3-(Benzofuro[3,2-c][1]benzoxepin-6(12H)-ylidene)-N,N-dimethylpropan-1-amine
CAS registry number： 26020-55-3
Regulation number (1)：
  • EINECS2474113
KEGG DRUG： D08312
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