Chem
J-GLOBAL ID:200907051156779230   Nikkaji number:J2.037.762C

(4R)-3,3-Dibutyl-4α-hydroxy-5α-[4-[9-(triethylaminio)-1,4,7-trioxanonane-1-yl]phenyl]-7-(dimethylamino)-2,3,4,5-tetrahydro-1,4-benzothiazepine 1,1-dioxide

(4R)-3,3-ジブチル-4α-ヒドロキシ-5α-[4-[9-(トリエチルアミニオ)-1,4,7-トリオキサノナン-1-イル]フェニル]-7-(ジメチルアミノ)-2,3,4,5-テトラヒドロ-1,4-ベンゾチアゼピン1,1-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: C37H62N2[N+]O4[O-]2[S+2]
Molecular formula furigana: C37-H62-N3-O6-S
Molecular weight: 676.980
InChI: InChI=1S/C37H62N3O6S/c1-8-13-21-37(22-14-9-2)30-47(42,43)35-20-17-32(38(6)7)29-34(35)36(39(37)41)31-15-18-33(19-16-31)46-28-27-45-26-25-44-24-23-40(10-3,11-4)12-5/h15-20,29,36,41H,8-14,21-28,30H2,1-7H3/q+1/t36-/m1/s1
InChI key: GJICESRBJIVPII-PSXMRANNSA-N
SMILES: CCCCC1(CCCC)C[S+2]([O-])([O-])c2ccc(cc2[C@H](N1O)c1ccc(OCCOCCOCC[N+](CC)(CC)CC)cc1)N(C)C
Systematic name  (3):
  • (4R)-3,3-ジブチル-4α-ヒドロキシ-5α-[4-[9-(トリエチルアミニオ)-1,4,7-トリオキサノナン-1-イル]フェニル]-7-(ジメチルアミノ)-2,3,4,5-テトラヒドロ-1,4-ベンゾチアゼピン1,1-ジオキシド
  • (5R)-3,3-ジブチル-7-(ジメチルアミノ)-4-ヒドロキシ-5-[4-(2-{2-[2-(トリエチルアザニウミル)エトキシ]エトキシ}エトキシ)フェニル]-2,3,4,5-テトラヒドロ-1H-1,4-ベンゾチアゼピン-1,1-ジイウム-1,1-ビス(オラート)
  • (5R)-3,3-dibutyl-7-(dimethylamino)-4-hydroxy-5-[4-(2-{2-[2-(triethylazaniumyl)ethoxy]ethoxy}ethoxy)phenyl]-2,3,4,5-tetrahydro-1H-1,4-benzothiazepine-1,1-diium-1,1-bis(olate)
Other name (1):
  • (4R)-3,3-Dibutyl-4α-hydroxy-5α-[4-[9-(triethylaminio)-1,4,7-trioxanonane-1-yl]phenyl]-7-(dimethylamino)-2,3,4,5-tetrahydro-1,4-benzothiazepine 1,1-dioxide
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