AG001EMZ

147118-39-6 | Methyl (+)-(3r)-7-[4-(4-fluorophenyl)-6-isopropyl-2-(n-methyl-n-methanesulfonylamino)pyrimidin-5-yl]-3-hydroxy-5-oxo-(6e)-heptenoate

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CAS Number	147118-39-6
Catalog Number	AG001EMZ(AGN-PC-0PZU3B)
Chemical Name	Methyl (+)-(3r)-7-[4-(4-fluorophenyl)-6-isopropyl-2-(n-methyl-n-methanesulfonylamino)pyrimidin-5-yl]-3-hydroxy-5-oxo-(6e)-heptenoate
EC Number	604-567-0
IUPAC Name	methyl (E,3R)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3-hydroxy-5-oxohept-6-enoate
InChI	InChI=1S/C23H28FN3O6S/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/h6-11,14,18,29H,12-13H2,1-5H3/b11-10+/t18-/m1/s1
InChI Key	ULUNETUXUVEFLH-DOJUMQAQSA-N
MDL Number	MFCD12755726
Molecular Formula	C23H28FN3O6S
Molecular Weight	493.5483
SMILES	O=C(OC)C[C@H](O)CC(/C=C/C1=C(C(C)C)N=C(N(C)S(=O)(C)=O)N=C1C2=CC=C(F)C=C2)=O
Synonyms	147118-39-6, 5-Oxorosuvastatin methyl ester, (R,E)-Methyl 7-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)-3-hydroxy-5-oxohept-6-enoate, Methyl (+)-(3R)-7-[4-(4-fluorophenyl)-6-isopropyl-2-(N-methyl-N-methanesulfonylamino)pyrimidin-5-yl]-3-hydroxy-5-oxo-(6E)-heptenoate, (R,E)-Methyl 7-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)-pyrimidin-5-yl)-3-hydroxy-5-oxohept-6-enoate, Methyl (+)-(3R)-7-[4-(4-fluorophenyl)-6-isopropyl-2-(N-methyl-N-Methansulphonylamino)pyrimidin-5-yl]-3-hydroxy-5-oxo-6(E)-heptenoate, Methyl 7-[4-(4-fluorophenyl)-6-isopropyl-2-(N-methyl-N-methylsulfonylamino)pyrimidin-5-yl]-(3R)-3-hydroxy-5-oxo-(E)-6-heptenate, ULUNETUXUVEFLH-DOJUMQAQSA-N, AK-50691, SCHEMBL3786, SCHEMBL3787, BCP10934, AN-367, MFCD12755726, ZINC38339138, AKOS015896426, AC-3411, 6-Heptenoic acid, 7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3-hydroxy-5-oxo-, methyl ester, (3R,6E)-, AJ-95120, AS-11331, SC-22832, AX8216644, TC-133136, ST24024178, J3.546.491C, 118M396, I06-2014, 6-?Heptenoic acid, 7-?[4-?(4-?fluorophenyl)?-?6-?(, Methyl(+)-(3-R)-7-[4-(4-Fluorophenyl)-6-isopropyl-2-(N-methy, (3R,E)-7-[4-(4-Fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonylamino)pyrimidine-5-yl]-3-hydroxy-5-oxo-6-heptenoic acid methyl ester, 7-[4-fluorophenyl]-6-isopropyl)-2-(N-Methyl-N-MethylSulfonyl amino)pyrimidine-5-yl]-(3R)-3-(terbutyldimethylsilyloxy)-5-oxo-6E-heptane acid,Methyl ester, Methyl (+)-(3R)-7-[4-(4-fluorophenyl)-6-isopropyl-2-(N-methyl-N-methanesulfonylamino)pyrimidin -5-yl]-3-hydroxy-5-oxo-(6E)-heptenoate, methyl (E,3R)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3-hydroxy-5-oxohept-6-enoate, methyl (E,3R)-7-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]-3-hydroxy-5-oxo-hept-6-enoate, C23H28FN3O6S, Methyl - -7-[4- -6-isopropyl-2- pyrimidin-5-yl]-3-hydroxy-5-oxo-6 -heptenoate, Methyl (+)-(3R)-7-[4-(4-fluorophenyl)-6-isopropyl-2-(N-methyl-N-metha nesulfonylamino)pyrimidin-5-yl]-3-hydroxy-5-oxo-(6E)-heptenoa te, Rosuvastatin intermediate;Methyl 7-[4-(4-fluorophenyl)-6-isopropyl-2-(N-methyl-N-methylsulfonylamino)pyrimidin-5-yl]-(3R)-3-hydroxy-5-oxo-(E)-6-heptenate,

Complexity	823
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Exact Mass	493.168g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	493.55g/mol
Monoisotopic Mass	493.168g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	135A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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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