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AG000YEM
128794-94-5 | 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)-
AG000YEM
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| CAS Number | 128794-94-5 |
| Catalog Number | AG000YEM(AGN-PC-0PIUQF) |
| Chemical Name | 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)- |
| IUPAC Name | 2-morpholin-4-ylethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate |
| InChI | 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+ |
| InChI Key | RTGDFNSFWBGLEC-SYZQJQIISA-N |
| MDL Number | MFCD00867568 |
| Molecular Formula | C23H31NO7 |
| Molecular Weight | 433.4947 |
| SMILES | O1CCN(CC1)CCOC(CCC(=CCC1=C(C(=C2COC(C2=C1O)=O)C)OC)C)=O |
| UNII | 9242ECW6R0 |
| Synonyms | Cellcept,
Mofetil Hydrochloride, Mycophenolate,
Mofetil, Mycophenolate,
mycophenolate mofetil,
mycophenolate mofetil hydrochloride,
Mycophenolate Sodium,
Mycophenolate, Sodium,
Mycophenolic Acid,
mycophenolic acid morpholinoethyl ester,
myfortic,
RS 61443,
RS-61443,
RS61443,
Sodium Mycophenolate,
mycophenolate mofetil,
128794-94-5,
CellCept,
RS 61443,
115007-34-6,
RS-61443,
TM-MMF,
Munoloc,
Mycophenolic acid morpholinoethyl ester,
Mycophenylate mofetil,
Mycophenolatemofetil,
UNII-9242ECW6R0,
HSDB 7436,
Cellcept (TN),
2-Morpholinoethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoate,
CHEBI:8764,
C23H31NO7,
Mycophenolate mofetil (CellCept),
9242ECW6R0,
MFCD00867568,
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,
Myfenax,
RS-61443-190,
DSSTox_CID_3340,
DSSTox_RID_76982,
Mycophenolate mofetil, 98%,
DSSTox_GSID_23340,
2-morpholin-4-ylethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-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, (E)-,
(E)-2-Morpholinoethyl 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoate,
RS61443,
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-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,
SMR002544686,
MMF CellCept(TM),
CAS-128794-94-5,
ME-MPA,
SR-05000001485,
Mycophenolate mofetil Teva,
Mycophenolatmofetil,
Mycophenolate mofetil (JAN/USAN),
Mycophenolate mofetil [USAN:USP],
NCGC00159459-02,
(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-4-hexenoic acid 2-(4-morpholinyl)ethyl ester,
2-morpholin-4-ylethyl (E)-6-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-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)-,
Mofetil mycophenolate,
AC1NQXZW,
R-99,
AC1Q6O6X,
SCHEMBL4195,
CHEMBL1456,
MLS003915627,
MLS004774133,
MLS006011929,
SCHEMBL218782,
GTPL6831,
DTXSID3023340,
CHEBI:93612,
Mycophenolate mofetil(CellCept)/,
Mycophenolate-mofetil-(CellCept),
AOB5505,
RTGDFNSFWBGLEC-SYZQJQIISA-N,
HMS2090A03,
Pharmakon1600-01504567,
ACT01993,
ALBB-027273,
BCP12786,
BCP27678,
HY-B0199,
Tox21_111686,
ABP000539,
BBL029073,
NSC724229,
NSC758905,
s1501,
STL146382,
ZINC21297660,
AKOS005720900,
Tox21_111686_1,
AB07560,
AC-1562,
BCP9000969,
CCG-213315,
CS-2135,
DB00688,
KS-1209,
NSC-724229,
NSC-758905,
Mycophenolate mofetil, >=98% (HPLC),
NCGC00159459-03,
NCGC00159459-04,
AJ-78121,
AN-14797,
AN-33289,
BC225627,
BC283431,
LS-75572,
SC-19049,
SMR004703518,
AB0125583,
LS-172272,
TL8000648,
M2387,
R3925,
ST24035026,
SW219893-1,
C07908,
D00752,
J90063,
AB01274794-01,
AB01274794-02,
AB01274794_03,
AB01274794_04,
007M346,
A803280,
A805863,
I01-0898,
I06-1947,
J-005626,
Q-101316,
SR-05000001485-1,
SR-05000001485-2,
BRD-K92428153-001-01-0,
Mycophenolate mofetil, European Pharmacopoeia (EP) Reference Standard,
Mycophenolate mofetil, United States Pharmacopeia (USP) Reference Standard,
Mycophenolate mofetil for peak identification, European Pharmacopoeia (EP) Reference Standard,
Mycophenolate Mofetil, Pharmaceutical Secondary Standard; Certified Reference Material,
(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,
2-(4-Morpholinyl)ethyl (E)-6-(1,3-Dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoate,
2-morpholin-4-ylethyl 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoate,
4-Hexenoic acid,3-dihydro-4-hydroxy-6-methoxy-7-methyl -3-oxo-5-isobenzofuranyl)-4-methyl-, 2-(4-morpholinyl)ethyl ester, (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,
morpholinoethyl (E)-6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoate,
Morpholinoethyl E-6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoate,
Morpholinoethyl E-6-(1,3-dihydro-4-hydroxy-6-methoxy-7methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoate,
myclausen,
Linfonex,
Myfortic,
Sodium mycophenolate,
Mycophenolate mofetil HCl,
MYCOPHENOLATE SODIUM,
D04FBR,
D0MS5I,
Mycophenolate mofetil [USAN],
Mycophenolate mofetil hydrochloride,
R-99 (inflammation), Pharmagene,
R-99 (ocular disease), Allergan,
R-99 (immune disorders), Asterand,
AR-1J6939,
C23-H31-N-O7,
RW2729,
R-99 (immune disorders), Pharmagene,
ACN-048189,
CID5281078,
CS-O-01852,
A4336,
A10613,
MMF,
C063008,
CellCept, RS 61443, TM-MMF, Mycophenolate mofetil,
Mycophenolate mofetil, 98%, a reversible inhibitor of (IMPDH1/2) - 100MG 100mg,
1306-01-0,
2-Morpholinoethyl (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoate,
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-enoicacid2-morpholinoethylester,
|
| Complexity | 646 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 433.21g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 433.501g/mol |
| Monoisotopic Mass | 433.21g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 94.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
| Hazard Class | 9 |
| Hazard statements | H302-H315-H319-H335 |
| Packing Group | Ⅲ |
| Precautionary statements | P261-P305+P351+P338 |
| UN Code | UN 3077 |
Certificate of Analysis
Lot Number
Related Research Chemicals
CERTIFICATE OF ANALYSIS
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
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| Formula: | ||
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Analysis Data:
| Test: | Result: |
Conclusion: The above product meets the specifications of Angene.
Analyst:Chase
Date:
Reviewed by:Jessie
Date:
Angene International Limited