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Basic information
- CAS
483-60-3- Standard SMILES
COc1c(C)c2c(c(O)c1CC=C(C)CCC(=O)O)C(=O)OC2- InChIKey
HPNSFSBZBAHARI-UHFFFAOYSA-N- Molecular formula
- C17H20O6
- Average molar mass
- 320.3 g/mol
- Monoisotopic mass
- 320.12598835
Names & identifiers
- Preferred name
- 6-(1,3-Dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoic acid
- IUPAC
- 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid
- English name
- 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methylhex-4-enoic acid
- Molecular formula
- C17H20O6
- Molecular weight
- 320.34
Names & synonyms
RefChem:1073655483-60-36-(1,3-Dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoic acid(4Z)-6-(1,3-Dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoic Acid;Spectrum_001978Mycophenolic acid powderPrestwick0_000556Prestwick1_000556Spectrum2_000892Spectrum3_000797Spectrum4_000890Oprea1_330442
Show more names
HPNSFSBZBAHARI-WTKPLQERSA-NMycophenolic Acid (Z)-IsomerMycophenolate Impurity 12 ((Z)-Mycophenolic Acid)Mycophenolate Sodium EP Impurity B ((Z)-Mycophenolic Acid)(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoic acid(E)-6-(4-hydroxy-3-keto-6-methoxy-7-methyl-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoic acid6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methyl-4-hexenoic acid
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 485
Physicochemical properties
- Boiling point
- 611.6 · 611.6±55.0 °C(Predicted)
- Density
- 1.29 · 1.290±0.06 g/cm3(Predicted)
- solubility
- DMSO (Slightly), Methanol (Very Slightly)
- form
- Solid
- pka
- 4 · 4+-.0.10(Predicted)
- color
- White to Off-White
- Stability
- Hygroscopic
- FDA UNII
- 9 DX48N0T · HU9DX48N0T
Chemistry & industry
Uses & manufacturing
Uses
Use (kg; approx.) in Germany (2009): ?2500；Use (kg; exact) in Germany (2009): 2530；Use (kg) in USA (2002): 17900；Consumption (g per capita; approx.) in Germany (2009): 0.0305；Consumption (g per capita; exact) in Germany (2009): 0.0309；Consumption (g per capita) in the USA (2002): 0.0635；Excretion rate: 1；Calculated removal (%): 99.4
Applications
Uses(Z)-Mycophenolic acid is the Z-isomer of Mycophenolic acid (M831500), an antibiotic drug.
Suppliers14 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
深圳市简一生物科技有限公司0755-84826604 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
BOC Sciences16314854226 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
Related reactions
2 records
Compound notes
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