Chem
J-GLOBAL ID:201107040509103232
Nikkaji number:J2.933.500A
Vorapaxar
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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:
C29 H33 FN2 O4
Molecular formula furigana:
C29-H33-F-N2-O4
Molecular weight:
492.591
InChI:
InChI=1S/C29H33FN2O4/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34)/t17-,20+,23-,24-,25+,26-,27+/m1/s1
InChI key:
ZBGXUVOIWDMMJE-VGNWVOHFSA-N
SMILES:
CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)c2cccc(F)c2)C1
Systematic name (4):
N-[1,3,3aα,4,4aβ,5,6,7,8,8aα,9,9aα-ドデカヒドロ-1-オキソ-3α-メチル4β-[2-[5-(3-フルオロフェニル)ピリジン-2-イル]エテニル]-ナフト[2,3-c]フラン-7β-イル]カルバミド酸エチル
3α-メチル-7β-(エトキシカルボニルアミノ)-4β-[2-[3-(3-フルオロフェニル)ピリジン-6-イル]エテニル]-1,3,3aα,4,4aβ,5,6,7,8,8aα,9,9aα-ドデカヒドロナフト[2,3-c]フラン-1-オン
エチル N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-{2-[5-(3-フルオロフェニル)ピリジン-2-イル]エテニル}-1-メチル-3-オキソ-ドデカヒドロナフト[2,3-c]フラン-6-イル]カルバマート
ethyl N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-{2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl}-1-methyl-3-oxo-dodecahydronaphtho[2,3-c]furan-6-yl]carbamate
Other name (8):
N-[1,3,3aα,4,4aβ,5,6,7,8,8aα,9,9aα-Dodecahydro-1-oxo-3α-methyl 4β-[2-[5-(3-fluorophenyl)pyridine-2-yl]ethenyl]-naphtho[2,3-c]furan-7β-yl]carbamic acid ethyl ester
Vorapaxar
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3α-Methyl-7β-(ethoxycarbonylamino)-4β-[2-[3-(3-fluorophenyl)pyridine-6-yl]ethenyl]-1,3,3aα,4,4aβ,5,6,7,8,8aα,9,9aα-dodecahydronaphtho[2,3-c]furan-1-one
SCH-530548
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CAS registry number:
618385-01-6
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