AG001EMY

147118-40-9 | 6-Heptenoic acid, 7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3,5-dihydroxy-, methyl ester, (3R,5S,6E)-

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CAS Number	147118-40-9
Catalog Number	AG001EMY(AGN-PC-0PZU3P)
Chemical Name	6-Heptenoic acid, 7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3,5-dihydroxy-, methyl ester, (3R,5S,6E)-
EC Number	604-568-6
IUPAC Name	methyl (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate
InChI	InChI=1S/C23H30FN3O6S/c1-14(2)21-19(11-10-17(28)12-18(29)13-20(30)33-4)22(15-6-8-16(24)9-7-15)26-23(25-21)27(3)34(5,31)32/h6-11,14,17-18,28-29H,12-13H2,1-5H3/b11-10+/t17-,18-/m1/s1
InChI Key	SUTPUCLJAVPJRS-NDZBKKTDSA-N
MDL Number	MFCD12756002
Molecular Formula	C23H30FN3O6S
Molecular Weight	495.5642
SMILES	O=C(OC)C[C@H](O)C[C@H](O)/C=C/C1=C(C(C)C)N=C(N(C)S(=O)(C)=O)N=C1C2=CC=C(F)C=C2
UNII	2E76572CUD
Synonyms	Rosuvastatin methyl ester, 147118-40-9, UNII-2E76572CUD, 2E76572CUD, (3R,5S,6E)-7-[4-(4-Fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3,5-dihydroxy-6-heptenoicacid, methyl ester, (3R,5S,E)-Methyl 7-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoate, 6-Heptenoic acid, 7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-, methyl ester, (3R,5S,6E)-, 6-Heptenoic acid, 7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3,5-dihydroxy-, methyl ester, (3R,5S,6E)-, methyl (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate, (+)-Rosuvastatin methyl ester, AK-50692, EC 604-568-6, C23H30FN3O6S, SCHEMBL2167027, DTXSID90163597, SUTPUCLJAVPJRS-NDZBKKTDSA-N, 7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-(N-methyl-N-methylsulfonyl-amino)-pyrimidin-5-yl]-3,5-dihydroxy-hept-6-enoic acid methyl ester, BCP04937, MFCD12756002, ZINC38339136, AKOS015999593, AC-3412, AN-6884, (3R,5S,6E)-methyl-7-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoate, AJ-95119, DS-15515, SC-23321, AX8216645, ST24025748, X6287, 118R409, 7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-(N-methy, (3R,5S,6E)-3,5-Dihydroxy-7-[2-(methylmesylamino)-4-(4-fluorophenyl)-6-isopropylpyrimidine-5-yl]-6-heptenoic acid methyl ester, (3R,5S,6E)-7-[4-(4-Fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)-amino]-5-pyrimidinyl]-3,5-dihydroxy-6-heptenoicacid, methyl ester, (3R,5S,6E)-7-[4-(4-Fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3,5-dihydroxy-6-heptenoic Acid Methyl Ester, (3R,5S,6E)-7-[4-(4-Fluorophenyl)-6-isopropyl-2-(N-methyl-N-methylsulfonyl amino)pyrinidine-5-yl]-3,5-dihydrosy-6-heptane acid methyl ester, Methyl (3R,5S,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoate, methyl (6E)-7-{4-(4-flurophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}(3R,5S)-3,5-dihydroxyhept-6-enoate, methyl (E,3R,5S)-7-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]-3,5-dihydroxy-hept-6-enoate,

Complexity	782
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	1
Exact Mass	495.184g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	495.566g/mol
Monoisotopic Mass	495.184g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	138A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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