Mycophenolate Mofetil EP Impurity E

CAT: 1299-RM-M031605-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M031605-04Size:100 mg

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CAS Number

31858-66-9

Synonyms

(E) -methyl-6- (4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl) -4-methylhex-4-enoate

Molecular Formula

C18H22O6

Molecular Weight

334.36

Target Alternative Name

Mycophenolate

Product Name Synonym

(E) -methyl-6- (4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl) -4-methylhex-4-enoate

Chemical Information

Methyl (4E)-6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoate

CAS Number	31858-66-9
PubChem CID	6478685
IUPAC Name	methyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate
Molecular Formula	C18H22O6
Molecular Weight	334.4
XLogP	3.5
Topological Polar Surface Area	82.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	24
Formal Charge	0
Complexity	500

SMILES

CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)OC)O

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+

InChIKey

ZPXRQFLATDNYSS-BJMVGYQFSA-N

Chemical Structure

2D Structure

CAS: 31858-66-9

CID: 6478685

Formula: C18H22O6

MW: 334.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	334.4
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	334.14163842
Monoisotopic Mass	334.14163842
Topological Polar Surface Area	82.1 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	500
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-M031601-01	Mycophenolate Mofetil EP Impurity A
RM-M031609-01	Mycophenolate Mofetil EP Impurity H
RM-M031602-01	Mycophenolate Mofetil EP Impurity B
RM-M031603-01	Mycophenolate Mofetil EP Impurity C
RM-M031608-01	Mycophenolate Mofetil EP Impurity G
RM-M031604-01	Mycophenolate Mofetil EP Impurity D
RM-M031606-01	Mycophenolate Mofetil EP Impurity F; Mycophenolic Acid
RM-M031633-01	Mycophenolate Mofetil Impurity 33
RM-M031632-01	Mycophenolate Mofetil Impurity 32
RM-M031636-01	Mycophenolate Mofetil Impurity 35

Catalog	Name
AR-M02442-01	Mycophenolate Mofetil Impurity A HCl
AR-M05249-01	Mycophenolate Mofetil Impurity 6
AR-M02450-01	Mycophenolate Mofetil Impurity 2
AR-M02479-01	Mycophenolate Mofetil EP Impurity A
271679-01	O-Desmethyl mycophenolate mofetil (impurity A)
AR-M02436-01	Mycophenolate Mofetil EP Impurity C
AR-M02444-01	Mycophenolate Mofetil EP Impurity E
AR-M02447-01	Mycophenolate Mofetil EP Impurity G
AR-M02437-01	Mycophenolate Mofetil EP Impurity B
sc-217076	(4Z) -Mycophenolate Mofetil (EP Impurity C)