Chem
J-GLOBAL ID:201707010178244378   Nikkaji number:J3.655.031G

Tenapanor

テナパノル
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: C50H66Cl4N8O10S2
Molecular formula furigana: C50-H66-CL4-N8-O10-S2
Molecular weight: 1145.040
InChI: InChI=1S/C50H66Cl4N8O10S2/c1-61-31-43(41-27-37(51)29-47(53)45(41)33-61)35-7-5-9-39(25-35)73(65,66)59-15-19-71-23-21-69-17-13-57-49(63)55-11-3-4-12-56-50(64)58-14-18-70-22-24-72-20-16-60-74(67,68)40-10-6-8-36(26-40)44-32-62(2)34-46-42(44)28-38(52)30-48(46)54/h5-10,25-30,43-44,59-60H,3-4,11-24,31-34H2,1-2H3,(H2,55,57,63)(H2,56,58,64)/t43-,44-/m0/s1
InChI key: DNHPDWGIXIMXSA-CXNSMIOJSA-N
SMILES: CN1C[C@@H](c2cccc(c2)S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c2cccc(c2)[C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc23)c2cc(Cl)cc(Cl)c2C1
Systematic name  (3):
  • N,N′-(10,17-ジオキソ-3,6,21,24-テトラオキサ-9,11,16,18-テトラアザヘキサコサン-1,26-ジイル)ビス[3-[(4S)-6,8-ジクロロ-2-メチル-1,2,3,4-テトラヒドロイソキノリン-4-イル]ベンゼン-1-スルホンアミド]
  • 3-{2-[2-(2-{3-[(4S)-6,8-ジクロロ-2-メチル-1,2,3,4-テトラヒドロイソキノリン-4-イル]ベンゼンスルホンアミド}エトキシ)エトキシ]エチル}-1-{4-[({2-[2-(2-{3-[(4S)-6,8-ジクロロ-2-メチル-1,2,3,4-テトラヒドロイソキノリン-4-イル]ベンゼンスルホンアミド}エトキシ)エトキシ]エチル}カルバモイル)アミノ]ブチル}尿素
  • 3-{2-[2-(2-{3-[(4S)-6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl]benzenesulfonamido}ethoxy)ethoxy]ethyl}-1-{4-[({2-[2-(2-{3-[(4S)-6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl]benzenesulfonamido}ethoxy)ethoxy]ethyl}carbamoyl)amino]butyl}urea
Other name (3):
  • N,N′-(10,17-Dioxo-3,6,21,24-tetraoxa-9,11,16,18-tetraazahexacosane-1,26-diyl)bis[3-[(4S)-6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinoline-4-yl]benzene-1-sulfonamide]
  • テナパノル
  • Tenapanor
CAS registry number: 1234423-95-0
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