Vorapaxar sulfate
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Product Description
Product
Vorapaxar sulfate
CAS
705260-08-8
Formula
C29H35FN2O8S; C29H33FN2O4.H2O4S
Synonym
Vorapaxar sulfate; Carbamic acid, N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(1E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]dodecahydro-1-methyl-3-oxonaphtho[2,3-c]furan-6-yl]-, ethyl ester, sulfate (1:1); COMPONENT; FDA UNII IN66038E6C; H2-O4-S; Molecular Formula Fragments C29-H33-F-N2-O4; Molecular Formulas ?Molecular Formula C29-H33-F-N2-O4.H2-O4-S; N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(1E)-2-[5-(3-Fluorophenyl)-2-pyridinyl]ethenyl]dodecahydro-1-Methyl-3-oxonaphtho[2,3-c]furan-6-yl]carbaMic Acid Ethyl Ester Sulfate; Registry Numbers CAS Registry Number 705260-08-8; Sch 530348; SCH 530348 (H2SO4 Salt); System Generated Number 0705260088; Systematic Name Carbamic acid, ((1R,3aR,4aR,6R,8aR,9S,9aS)-9-((1E)-2-(5-(3-fluorophenyl)-2-pyridinyl)ethenyl)dodecahydro-1-methyl-3-oxonaphtho(2,3-c)furan-6-yl)-, ethyl ester, sulfate (1:1); UNII-IN66038E6C; vorapaxar impurity A
Typical Product Specifications
Molecular weight
590.66
SMILES
CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c4ccc(cn4)c5cccc(F)c5.OS(=O)(=O)O
InChI
NQRYCIGCIAWEIC-CKLVGUEFSA-N
InChIKey
1S/C29H33FN2O4.H2O4S/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;1-5(2,3)4/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34);(H2,1,2,3,4)/b12-9+;/t17-,20+,23-,24-,25+,26-,
Class
Vorapaxar sulfate
Product Description
Product
Vorapaxar sulfate
CAS
705260-08-8
Formula
C29H35FN2O8S; C29H33FN2O4.H2O4S
Synonym
Vorapaxar sulfate; Carbamic acid, N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(1E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]dodecahydro-1-methyl-3-oxonaphtho[2,3-c]furan-6-yl]-, ethyl ester, sulfate (1:1); COMPONENT; FDA UNII IN66038E6C; H2-O4-S; Molecular Formula Fragments C29-H33-F-N2-O4; Molecular Formulas ?Molecular Formula C29-H33-F-N2-O4.H2-O4-S; N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(1E)-2-[5-(3-Fluorophenyl)-2-pyridinyl]ethenyl]dodecahydro-1-Methyl-3-oxonaphtho[2,3-c]furan-6-yl]carbaMic Acid Ethyl Ester Sulfate; Registry Numbers CAS Registry Number 705260-08-8; Sch 530348; SCH 530348 (H2SO4 Salt); System Generated Number 0705260088; Systematic Name Carbamic acid, ((1R,3aR,4aR,6R,8aR,9S,9aS)-9-((1E)-2-(5-(3-fluorophenyl)-2-pyridinyl)ethenyl)dodecahydro-1-methyl-3-oxonaphtho(2,3-c)furan-6-yl)-, ethyl ester, sulfate (1:1); UNII-IN66038E6C; vorapaxar impurity A
Typical Product Specifications
Molecular weight
590.66
SMILES
CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c4ccc(cn4)c5cccc(F)c5.OS(=O)(=O)O
InChI
NQRYCIGCIAWEIC-CKLVGUEFSA-N
InChIKey
1S/C29H33FN2O4.H2O4S/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;1-5(2,3)4/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34);(H2,1,2,3,4)/b12-9+;/t17-,20+,23-,24-,25+,26-,
Class
