Registration Dossier
Registration Dossier
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EC number: 246-119-3 | CAS number: 24280-93-1
Reference substances
- IUPAC name:
- 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoic acid
Inventory
- EC number:
- 246-119-3
- EC name:
- Mycophenolic acid
- CAS number:
- 24280-93-1
- CAS number:
- 24280-93-1
Synonyms
- Names:
- MPA
- Identifier:
- IUPAC name
- (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoic acid
- Identifier:
- IUPAC name
- 6-(1,3-Dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4- methyl-4-hexenoic acid
- Identifier:
- IUPAC name
- 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoic acid
- Identifier:
- other: InChl
- 1/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+
- Identifier:
- other: SMILES notation
- c12c(c(c(C\C=C(\CCC(O)=O)C)c(c1C)OC)O)C(=O)OC2
- (E)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-4-methyl-hex-4-enoic acid
Molecular and structural information
- Molecular formula:
- C17H20O6
- Molecular weight:
- 320.34
- SMILES notation:
- OC(=O)CCC(C)=CCc2c(O)c1C(=O)OCc1c(C)c2OC
- InChl:
- InChI=1/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)
- Structural formula:
Related substances
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
