Chem
J-GLOBAL ID:201207097171176033
Nikkaji number:J3.090.623C
BAY-60-2770
BAY-60-2770
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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:
C35 H33 F4 NO5
Molecular formula furigana:
C35-H33-F4-N-O5
Molecular weight:
623.645
InChI:
InChI=1S/C35H33F4NO5/c36-31-16-17-32(45-23-25-6-8-26(9-7-25)27-12-14-30(15-13-27)35(37,38)39)29(21-31)18-20-40(19-2-1-3-33(41)42)22-24-4-10-28(11-5-24)34(43)44/h4-17,21H,1-3,18-20,22-23H2,(H,41,42)(H,43,44)
InChI key:
CRQMDXFUKDWARU-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCN(CCc1cc(F)ccc1OCc1ccc(cc1)c1ccc(cc1)C(F)(F)F)Cc1ccc(cc1)C(=O)O
Systematic name (3):
4-[[(4-カルボキシブチル)[2-[5-フルオロ-2-[[4′-(トリフルオロメチル)-4-ビフェニリル]メトキシ]フェニル]エチル]アミノ]メチル]安息香酸
4-{[(4-カルボキシブチル)[2-(5-フルオロ-2-{[4'-(トリフルオロメチル)-[1,1'-ビフェニル]-4-イル]メトキシ}フェニル)エチル]アミノ]メチル}安息香酸
4-{[(4-carboxybutyl)[2-(5-fluoro-2-{[4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl]methoxy}phenyl)ethyl]amino]methyl}benzoic acid
Other name (2):
4-[[(4-Carboxybutyl)[2-[5-fluoro-2-[[4′-(trifluoromethyl)-4-biphenylyl]methoxy]phenyl]ethyl]amino]methyl]benzoic acid
BAY-60-2770
Application (1):
vasodilator
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