Chem
J-GLOBAL ID：200907016082531070   Nikkaji number：J377.030C

S-1452

S-1452
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： C40H52CaN2O8S2
Molecular formula furigana： C40-H52-CA-N2-O8-S2
Molecular weight： 793.060
InChI： InChI=1S/2C20H27NO4S.Ca/c2*22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17;/h2*1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23);/q;;+2/p-2/b2*6-1-;/t2*15-,16+,18+,20+;/m11./s1
InChI key： CWOWCGMKFUVBRQ-NBGZWUPPSA-L
SMILES： O=C(CCC/C=C\C[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccccc1)O[Ca]OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccccc1
Systematic name  (4)：
  • ビス[(5Z)-7-[(1R,2S,3S,4S)-3-[(フェニルスルホニル)アミノ]ビシクロ[2.2.1]ヘプタン-2-イル]-5-ヘプテン酸]カルシウム
  • ビス[(5Z)-7-[(1α,4α)-3β-(フェニルスルホニルアミノ)ビシクロ[2.2.1]ヘプタン-2α-イル]-5-ヘプテン酸]カルシウム
  • {[(5Z)-7-[(1R,2S,3S,4S)-3-ベンゼンスルホンアミドビシクロ[2.2.1]ヘプタン-2-イル]ヘプタ-5-エノイル]オキシ}カルシオ (5Z)-7-[(1R,2S,3S,4S)-3-ベンゼンスルホンアミドビシクロ[2.2.1]ヘプタン-2-イル]ヘプタ-5-エノアート
  • {[(5Z)-7-[(1R,2S,3S,4S)-3-benzenesulfonamidobicyclo[2.2.1]heptan-2-yl]hept-5-enoyl]oxy}calcio (5Z)-7-[(1R,2S,3S,4S)-3-benzenesulfonamidobicyclo[2.2.1]heptan-2-yl]hept-5-enoate
Other name (4)：
  • S-1452
  • Bis[(5Z)-7-[(1α,4α)-3β-(phenylsulfonylamino)bicyclo[2.2.1]heptan-2α-yl]-5-heptenoic acid]calcium salt
  • マシノプロストカルシウム
  • Macinoprost calsium
Application (3)：
thromboxane antagonist ,  bronchodilator ,  antiasthmatic drug
Thsaurus map：
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