Chem
J-GLOBAL ID：200907080050075056   Nikkaji number：J313.730I

(11S)-11-(6-Carboxyhexylamino)-3-chloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepine 5,5-dioxide

(11S)-11-(6-カルボキシヘキシルアミノ)-3-クロロ-6,11-ジヒドロ-6-メチルジベンゾ[c,f][1,2]チアゼピン5,5-ジオキシド
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： C21H25ClN2O2[O-]2[S+2]
Molecular formula furigana： C21-H25-CL-N2-O4-S
Molecular weight： 436.950
InChI： InChI=1S/C21H25ClN2O4S/c1-24-18-9-6-5-8-16(18)21(23-13-7-3-2-4-10-20(25)26)17-12-11-15(22)14-19(17)29(24,27)28/h5-6,8-9,11-12,14,21,23H,2-4,7,10,13H2,1H3,(H,25,26)/t21-/m0/s1
InChI key： JICJBGPOMZQUBB-NRFANRHFSA-N
SMILES： CN1c2ccccc2[C@H](NCCCCCCC(=O)O)c2ccc(Cl)cc2[S+2]1([O-])[O-]
Systematic name  (3)：
  • (11S)-11-(6-カルボキシヘキシルアミノ)-3-クロロ-6,11-ジヒドロ-6-メチルジベンゾ[c,f][1,2]チアゼピン5,5-ジオキシド
  • (2S)-2-[(6-カルボキシヘキシル)アミノ]-6-クロロ-10-メチル-9-チア-10-アザトリシクロ[9.4.0.03,8]ペンタデカ-1(15),3,5,7,11,13-ヘキサエン-9,9-ジイウム-9,9-ビス(オラート)
  • (2S)-2-[(6-carboxyhexyl)amino]-6-chloro-10-methyl-9-thia-10-azatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,9-diium-9,9-bis(olate)
Other name (1)：
  • (11S)-11-(6-Carboxyhexylamino)-3-chloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepine 5,5-dioxide
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