Chem
J-GLOBAL ID:200907032728238452
Nikkaji number:J851.117I
Sitaxsentan
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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:
C18 H15 ClN2 O6 S2
Molecular formula furigana:
C18-H15-CL-N2-O6-S2
Molecular weight:
454.900
InChI:
InChI=1S/C18H15ClN2O6S2/c1-9-5-13-14(26-8-25-13)7-11(9)6-12(22)17-15(3-4-28-17)29(23,24)21-18-16(19)10(2)20-27-18/h3-5,7,21H,6,8H2,1-2H3
InChI key:
PHWXUGHIIBDVKD-UHFFFAOYSA-N
SMILES:
Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Cc2cc3OCOc3cc2C)c1Cl
Systematic name (3):
2-[(6-メチル-1,3-ベンゾジオキソール-5-イル)アセチル]-N-(4-クロロ-3-メチルイソオキサゾール-5-イル)-3-チオフェンスルホンアミド
N-(4-クロロ-3-メチル-1,2-オキサゾール-5-イル)-2-[2-(6-メチル-2H-1,3-ベンゾジオキソール-5-イル)アセチル]チオフェン-3-スルホンアミド
N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(6-methyl-2H-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide
Other name (6):
TBC-11251
2-[(6-Methyl-1,3-benzodioxol-5-yl)acetyl]-N-(4-chloro-3-methylisoxazol-5-yl)-3-thiophenesulfonamide
Sitaxsentan
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Application (2):
endothelin antagonist
, vasoactive drug
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