Chem
J-GLOBAL ID:200907001755719583
Nikkaji number:J356.362F
LY-170680
LY-170680
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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:
C25 H36 N4 O3 S
Molecular formula furigana:
C25-H36-N4-O3-S
Molecular weight:
472.650
InChI:
InChI=1S/C25H36N4O3S/c1-2-3-4-5-6-7-8-9-10-11-12-16-22(33-18-17-23(30)31)24(32)20-14-13-15-21(19-20)25-26-28-29-27-25/h10-16,19,22,24,32H,2-9,17-18H2,1H3,(H,30,31)(H,26,27,28,29)/b11-10-,16-12+/t22-,24+/m1/s1
InChI key:
YPHOSUPSOWQQCB-AFOLHBCXSA-N
SMILES:
CCCCCCCCC/C=C\C=C\[C@@H](SCCC(=O)O)[C@@H](O)c1cccc(c1)c1nnn[nH]1
Systematic name (4):
3-[[(1R,2E,4Z)-1-[(S)-ヒドロキシ[3-(1H-テトラゾール-5-イル)フェニル]メチル]-2,4-テトラデカジエニル]チオ]プロピオン酸
(5R,6E,8Z)-5-[(S)-ヒドロキシ[3-(1H-テトラゾール-5-イル)フェニル]メチル]-4-チアオクタデカ-6,8-ジエン酸
3-{[(1S,2R,3E,5Z)-1-ヒドロキシ-1-[3-(1H-1,2,3,4-テトラゾール-5-イル)フェニル]ペンタデカ-3,5-ジエン-2-イル]スルファニル}プロパン酸
3-{[(1S,2R,3E,5Z)-1-hydroxy-1-[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]pentadeca-3,5-dien-2-yl]sulfanyl}propanoic acid
Other name (5):
LY-170680
3-[[(1R,2E,4Z)-1-[(S)-Hydroxy[3-(1H-tetrazol-5-yl)phenyl]methyl]-2,4-tetradecadienyl]thio]propionic acid
スルカスト
Sulukast
(5R,6E,8Z)-5-[(S)-Hydroxy[3-(1H-tetrazole-5-yl)phenyl]methyl]-4-thiaoctadeca-6,8-dienoic acid
CAS registry number:
98116-53-1
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