Chem
J-GLOBAL ID：200907098078896663   Nikkaji number：J6.007K

N-68

コバチン
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： C21H29NS2
Molecular formula furigana： C21-H29-N-S2
Molecular weight： 359.590
InChI： InChI=1S/C21H29NS2/c1-4-5-16-23-20-13-11-19(12-14-20)21(24-17-15-22(2)3)18-9-7-6-8-10-18/h6-14,21H,4-5,15-17H2,1-3H3
InChI key： IZLPZXSZLLELBJ-UHFFFAOYSA-N
SMILES： CCCCSc1ccc(cc1)C(SCCN(C)C)c1ccccc1
Systematic name  (4)：
  • 2-[[p-(ブチルチオ)-α-フェニルベンジル]チオ]-N,N-ジメチルエタンアミン
  • 2-[[[4-(ブチルチオ)フェニル]フェニルメチル]チオ]-N,N-ジメチルエタンアミン
  • [2-({[4-(ブチルスルファニル)フェニル](フェニル)メチル}スルファニル)エチル]ジメチルアミン
  • [2-({[4-(butylsulfanyl)phenyl](phenyl)methyl}sulfanyl)ethyl]dimethylamine
Other name (15)：
  • カプトジアム
  • カプトジアミン
  • カプトドラミン
  • Captodiam
  • Captodramin
Show all
CAS registry number： 486-17-9
Regulation number (2)：
  • KQ8563000
  • EINECS2076291
KEGG DRUG： D07316
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