Chem
J-GLOBAL ID：200907097337885296   Nikkaji number：J11.731E

Tiapamil

チアパミル
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： C26H37NO4[O-]4[S+2]2
Molecular formula furigana： C26-H37-N-O8-S2
Molecular weight： 555.700
InChI： InChI=1S/C26H37NO8S2/c1-27(15-12-20-8-10-22(32-2)24(18-20)34-4)14-6-13-26(36(28,29)16-7-17-37(26,30)31)21-9-11-23(33-3)25(19-21)35-5/h8-11,18-19H,6-7,12-17H2,1-5H3
InChI key： ZROUQTNYPCANTN-UHFFFAOYSA-N
SMILES： COc1ccc(CCN(C)CCCC2(c3ccc(OC)c(OC)c3)[S+2]([O-])([O-])CCC[S+2]2([O-])[O-])cc1OC
Systematic name  (4)：
  • 2-(3,4-ジメトキシフェニル)-N-[2-(3,4-ジメトキシフェニル)エチル]-N-メチル-1,3-ジチアン-2-(プロパン-1-アミン)1,1,3,3-テトラオキシド
  • 2-(3,4-ジメトキシフェニル)-N-(3,4-ジメトキシフェネチル)-N-メチル-1,3-ジチアン-2-プロパン-1-アミン1,1,3,3-テトラオキシド
  • 2-(3,4-ジメトキシフェニル)-2-(3-{[2-(3,4-ジメトキシフェニル)エチル](メチル)アミノ}プロピル)-1,3-ジチアン-1,1,3,3-テトライウム-1,1,3,3-テトラキス(オラート)
  • 2-(3,4-dimethoxyphenyl)-2-(3-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}propyl)-1,3-dithiane-1,1,3,3-tetraium-1,1,3,3-tetrakis(olate)
Other name (3)：
  • チアパミル
  • Tiapamil
  • 2-(3,4-Dimethoxyphenyl)-N-(3,4-dimethoxyphenethyl)-N-methyl-1,3-dithiane-2-propan-1-amine 1,1,3,3-tetraoxide
CAS registry number： 57010-31-8
Regulation number (1)：
  • EINECS2605106
KEGG COMPOUND： C13765
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