Structure of Mycophenolate mofetil CAS 128794-94-5

Iden­ti­fi­ca­tion

CAS Number

128794-94-5

Name

Mycophe­no­late mofetil 

Syn­onyms

(4E)-6-(1,3-Dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoic acid 2-(4-morpholinyl)ethyl ester
(4E)-6-(4-hydroxy-6-méthoxy-7-méthyl-3-oxo-1,3-dihydro-2-benzofur-5-yl)-4-méthylhex-4-énoate de 2-mor­pholin-4-yléthyle
(4E)-6-(4-Hydroxy-6-méthoxy-7-méthyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-méthyl-4-hexénoate de 2-(4-morpholinyl)éthyle [French] [ACD/IUPAC Name]
(E)-6-(1,3-Dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoic Acid 2-(4-Morpholinyl)ethyl Ester
128794-94-5 [RN]
2-(4-Morpholinyl)ethyl (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-4-hexenoate [ACD/IUPAC Name]
2-(4-Morpholinyl)ethyl-(4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-4-hexenoat [Ger­man] [ACD/IUPAC Name]
2-(Morpholin-4-yl)ethyl (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoate
2-(Morpholin-4-yl)ethyl-(4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofur-5-yl)-4-methylhex-4-enoat
2-mor­pholin-4-ylethyl (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoate
2-mor­pholin-4-ylethyl (4E)-6-[4-hydroxy-7-methyl-6-(methyloxy)-3-oxo-1,3-dihydro-2-benzofuran-5-yl]-4-methylhex-4-enoate
2-Mor­pholin-4-ylethyl-(4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofur-5-yl)-4-methylhex-4-enoat
4-Hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, 2-(4-morpholinyl)ethyl ester, (4E)- [ACD/​Index Name]
6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-4-hexenoic acid 2-(4-morpholinyl)ethyl ester
Cell­cept
MFCD00867568 [MDL num­ber]
mofetil micofeno­la­to [Por­tuguese]
Mycophe­no­late mofetil [JAN] [USAN] [Wiki]
Mycophe­no­late­mofetil
Mycophe­no­lic acid mor­pholi­noethyl ester
RS 61443-190
TM-MMF
(4E)-6-(1,3-Dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)4-hexenoic acid 4-methyl-2-(4-morpholinyl)ethyl ester
(E)-2-morpholinoethyl 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoate
(E)-2-Morpholinoethyl6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoate
(E)-6-(4-hydroxy-3-keto-6-methoxy-7-methyl-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoic acid 2-mor­pholi­­noethyl ester
(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-4-hexenoic acid 2-(4-morpholinyl)ethyl ester
(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methylhex-4-enoic acid 2-mor­pholi­­noethyl ester
[128794-94-5]
1076198-64-5 [RN]
1628047-84-6 [RN]
204-722-9 [EINECS]
24280-93-1 [RN]
2-mor­pholin-4-ylethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate
2-mor­pholin-4-ylethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoate
2-mor­pholin-4-ylethyl (e)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1h-isobenzofuran-5-yl)-4-methyl-hex-4-enoate
2-mor­pholin-4-ylethyl (E)-6-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoate
2-mor­pholin-4-ylethyl 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoate
2-mor­pholin-4-ylethyl 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate
2-mor­pholin-4-ylethyl 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoate
2-mor­pholi­­noethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoate
2-mor­pholi­­noethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoate
2-Mor­pholi­­noethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoate
2-mor­pholi­­noethyl 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoate
4-Hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl -3-oxo-5-isobenzofuranyl)-4-methyl-, 2-(4-morpholinyl)ethyl ester, (4E)
4-hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, 2-(4-morpholinyl)ethyl ester, (4E)
4-Hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, 2-(4-morpholinyl)ethyl ester, (E)-
4-HEXENOIC ACID,6-(1,3-DIHY­DRO-4-HYDROXY-6-METHOXY-7-METHYL-3-OXO-5-ISOBEN­ZO­FU­RANYL)-4-METHYL-,2-(4-MOR­PHOLINYL)ETH­YL ESTER
4-HEXENOIC ACID,6-(1,3-DIHY­DRO-4-HYDROXY-6-METHOXY-7-METHYL-3-OXO-5-ISOBEN­ZO­FU­RANYL)-4-METHYL-,2-(4-MOR­PHOLINYL)ETH­YL ESTER, (4E)-
6-((7-hydroxy-5-methoxy-4-methyl-1-oxo-3h-isobenzofuran-6-yl))-4-methyl-hex-4-enoic acid 2-mor­pholi­­noethyl ester
6-(1,3-dihydro-4E-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-2-(4-morpholinyl)ethyl ester-4-hexenoic acid
6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4E-hexenoic acid, 2-(4-morpholinyl)ethyl ester
6-(1,3-Dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoic acid 2-(4-morpholinyl)ethyl ester
6-(4-hydroxy-3-keto-6-methoxy-7-methyl-1H-i

SMILES

Cc1c2c(c(c(c1OC)C/C=C(\C)/CCC(=O)OCCN3CCOCC3)O)C(=O)OC2

Std­InChI

InChI=1S/C23H31NO7/c1-15(5-7-19(25)30-13-10-24-8-11-29-12-9-24)4-6-17-21(26)20-18(14-31-23(20)27)16(2)22(17)28-3/h4,26H,5-14H2,1-3H3/b15-4+

Std­InChIKey

RTGDFN­S­FW­B­­GLEC-SYZQJQI­ISA-N

Mol­e­c­u­lar Formula

C23H31NO7

Mol­e­c­u­lar Weight

433.495

MDL Number

MFCD00867568

Prop­er­ties

Appear­ance

White or almost white crys­talline powder

Safe­ty Data

RIDADR 

NONH for all modes of transport

WGK Germany

3

Spec­i­fi­ca­tions and Oth­er Infor­ma­tion of Our Mycophe­no­late mofetil CAS 128794-94-5

Iden­ti­fi­ca­tion Methods

HNMR, UV,IR, HPLC

Assay

98%~102%

pH

6.0~7.0

Heavy Met­als

≤20ppm

Z-Mycophe­no­late Mofetil

≤0. 10%

Toluene

≤0. 089%

Xylene

≤0.1%

Eth­yl acetate

≤0. 2%

Ethanol

≤0. 5%

Methanol

≤0. 3%

Ace­tone

≤0. 5%

Dichloromethane

≤0. 06%

N-hexa­­ne

≤0. 029%

Cyclo­hexa­ne

≤0. 388%

Butyl acetate

≤0. 5%

N,N-Dimethylformamide

≤0. 088%

Mor­pho­line Ethanol

≤0. 3%

Total num­ber of aer­o­bic bacteria

≤1000cfu/​g

Total mold and yeast

≤100cfu/​g

Eschein

Not Detect­ed

Loss on Drying

≤0.4%

Residue on Ignition

≤0.1%

Sin­gle Impurity

≤0.1%

Total Impu­ri­ties

≤0.4%

Shelf Life

2 years

Stor­age

Under room tem­per­a­ture away from light

Known Appli­ca­tion

It is a pro­drug that is cleaved by non-spe­­cif­ic esterase in vivo to pro­duce the par­ent com­pound mycophe­no­lic acid ; it is an immuno­sup­pres­sant for organ trans­plan­ta­tion and can also be used to treat autoim­mune myas­the­nia gravis ;

This prod­uct is devel­oped by our R&D com­pa­ny Cam­ing Phar­ma­ceu­ti­cal Ltd (https://​www​.cam​ing​.com/).

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