≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CCC(=O)OCCN3CCOCC3)O.Cl |
|---|---|
| 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;hydrochloride |
| InChIKey | OWLCGJBUTJXNOF-HDNKIUSMSA-N |
| INCHI | 1S/C23H31NO7.ClH/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;1H/b15-4+; |
| Isomeric SMILES | CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)OCCN3CCOCC3)O.Cl |
| Alternate CAS | 116680-01-4 |
| PubChem CID | 6441022 |
| MeSH Entry Terms | 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; |
| Molecular Weight | 470 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Isocoumarans |
| Subclass | Isobenzofuranones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phthalides |
| Alternative Parents | Anisoles Phenols Alkyl aryl ethers Fatty acid esters Morpholines Vinylogous acids Trialkylamines Lactones Amino acids and derivatives Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Hydrochlorides Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phthalide - Anisole - Phenol ether - Alkyl aryl ether - Fatty acid ester - Phenol - Morpholine - Oxazinane - Benzenoid - Fatty acyl - Vinylogous acid - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Lactone - Azacycle - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Monocarboxylic acid or derivatives - Ether - Hydrochloride - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phthalides. These are compounds containing a 3-hydrocarbylidene-2-benzofuran-1(3H)-one moiety,. |
| External Descriptors | Not available |
| Molecular Weight | 470.000 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 10 |
| Exact Mass | 469.187 Da |
| Monoisotopic Mass | 469.187 Da |
| Topological Polar Surface Area | 94.500 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 646.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 2 |
