Chem
J-GLOBAL ID:200907068296793560
Nikkaji number:J838.388J
DU-125530
2-[4-[4-[(7-クロロ-2,3-ジヒドロ-1,4-ベンゾジオキシン)-5-イル]-1-ピペラジニル]ブチル]-1,2-ベンゾイソチアゾール-3(2H)-オン1,1-ジオキシド
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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:
C23 H26 ClN3 O3 [O-]2 [S+2]
Molecular formula furigana:
C23-H26-CL-N3-O5-S
Molecular weight:
491.990
InChI:
InChI=1S/C23H26ClN3O5S/c24-17-15-19(22-20(16-17)31-13-14-32-22)26-11-9-25(10-12-26)7-3-4-8-27-23(28)18-5-1-2-6-21(18)33(27,29)30/h1-2,5-6,15-16H,3-4,7-14H2
InChI key:
LYXKFNHUJJDTIA-UHFFFAOYSA-N
SMILES:
[O-][S+2]1([O-])N(CCCCN2CCN(CC2)c2cc(Cl)cc3OCCOc23)C(=O)c2ccccc12
Systematic name (3):
2-[4-[4-[(7-クロロ-2,3-ジヒドロ-1,4-ベンゾジオキシン)-5-イル]-1-ピペラジニル]ブチル]-1,2-ベンゾイソチアゾール-3(2H)-オン1,1-ジオキシド
2-{4-[4-(7-クロロ-2,3-ジヒドロ-1,4-ベンゾジオキシン-5-イル)ピペラジン-1-イル]ブチル}-3-オキソ-2,3-ジヒドロ-1H-1,2-ベンゾチアゾール-1,1-ジイウム-1,1-ビス(オラート)
2-{4-[4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]butyl}-3-oxo-2,3-dihydro-1H-1,2-benzothiazole-1,1-diium-1,1-bis(olate)
Other name (2):
DU-125530
2-[4-[4-[(7-Chloro-2,3-dihydro-1,4-benzodioxin)-5-yl]-1-piperazinyl]butyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
CAS registry number:
161611-99-0
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