AG00C9E5

31858-66-9 | Methyl mycophenolate (EP impurity E)

AG00C9E5

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CAS Number	31858-66-9
Catalog Number	AG00C9E5(AGN-PC-0R74V8)
Chemical Name	Methyl mycophenolate (EP impurity E)
IUPAC Name	methyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate
InChI	InChI=1S/C18H22O6/c1-10(6-8-14(19)22-3)5-7-12-16(20)15-13(9-24-18(15)21)11(2)17(12)23-4/h5,20H,6-9H2,1-4H3/b10-5+
InChI Key	ZPXRQFLATDNYSS-BJMVGYQFSA-N
MDL Number	MFCD08063801
Molecular Formula	C18H22O6
Molecular Weight	334.3637
SMILES	O=C(CC/C(=C/CC1C(OC)=C(C)C2COC(=O)C=2C=1O)/C)OC
UNII	0B5C0EG8E8
Synonyms	Mycophenolic Acid Methyl Ester, UNII-0B5C0EG8E8, 0B5C0EG8E8, CHEMBL237760, 31858-66-9, 4-Hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, methyl ester, (4E)-, methyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate, Methyl mycophenolate, MPA-OMe, Mycophenolate methyl ester, AC1O56OO, Mycophenolate mofetil specified impurity E [EP], SCHEMBL1152477, Mycophenolate mofetil impurity, methyl mycophenolate- [USP], ZPXRQFLATDNYSS-BJMVGYQFSA-N, (E)-Methyl 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoate, BDBM50331100, ZINC22005885, API0000649, ACM24243401, Mycophenolic acid methyl ester_130118, Methyl (E)-6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoate, J-018555, (4E)-6-(1,3-Dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoic Acid Methyl Ester, 4-Methyl-5-methoxy-6-[(E)-3-methyl-6-oxo-6-methoxy-2-hexenyl]-7-hydroxy-1,3-dihydroisobenzofuran-1-one, Methyl (4E)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoate, methyl (E) 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxoisobenzofuran-5-yl)-4-methyl-4-hexenoate, methyl (E)-6-(1,3-dihydro-4-hydroxy-6-methoxy-7- methyl-3-oxoisobenzofuran-5-yl)-4-methyl-4-hexenoate, methyl (E)-6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxoisobenzofuran-5-yl) -4-methyl-4-hexenoate, methyl (E)-6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxoisobenzofuran-5-yl)-4-methyl-4-hexenoate, methyl (E)-6-(1,3-dihydro4-hydroxy-6-methoxy-7-methyl-3-oxoisobenzofuran-5-yl)-4-methyl-4-hexenoate, methyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoate, methyl 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoate, EP Impurity E, MYCOPHENOLATEMETHYLESTER, Methyl Mycophenolate (EP Impurity E), AIDS177248, CID6478685, 24243-40-1,

Complexity	500
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	334.142g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	334.368g/mol
Monoisotopic Mass	334.142g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	82.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number