Mycophenolate Impurity 26

CAT: 1299-RM-M031626-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M031626-01Size:10 mg

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CAS Number

2390035-84-2

Synonyms

3- (3- ((4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl) methyl) -2-methyloxiran-2-yl) propanoic acid

Molecular Formula

C17H20O7

Molecular Weight

336.34

Target Alternative Name

Mycophenolate

Product Name Synonym

3- (3- ((4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl) methyl) -2-methyloxiran-2-yl) propanoic acid

Chemical Information

3-(3-((4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)methyl)-2-methyloxiran-2-yl)propanoic acid

CAS Number	2390035-84-2
PubChem CID	177828475
IUPAC Name	3-[3-[(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)methyl]-2-methyloxiran-2-yl]propanoic acid
Molecular Formula	C17H20O7
Molecular Weight	336.3
XLogP	1.9
Topological Polar Surface Area	106
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	24
Formal Charge	0
Complexity	521

SMILES

CC1=C2COC(=O)C2=C(C(=C1OC)CC3C(O3)(C)CCC(=O)O)O

InChI

InChI=1S/C17H20O7/c1-8-10-7-23-16(21)13(10)14(20)9(15(8)22-3)6-11-17(2,24-11)5-4-12(18)19/h11,20H,4-7H2,1-3H3,(H,18,19)

InChIKey

BAMWAQGTOOEQAF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2390035-84-2

CID: 177828475

Formula: C17H20O7

MW: 336.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	336.3
XLogP3	1.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	336.12090297
Monoisotopic Mass	336.12090297
Topological Polar Surface Area	106 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	521
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
IM25526-01	Methyl mycophenolate impurity E
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)
sc-207874	Methyl Mycophenolate (EP Impurity E)
AR-M02436-01	Mycophenolate Mofetil EP Impurity C
AR-M02444-01	Mycophenolate Mofetil EP Impurity E
AR-M02447-01	Mycophenolate Mofetil EP Impurity G