24280-93-1

Name Mycophenolic acid
CAS 24280-93-1
EINECS(EC#) 246-119-3
Molecular Formula C17H20O6
MDL Number MFCD00036814
Molecular Weight 320.34
MOL File 24280-93-1.mol

Chemical Properties

Appearance White to Off-White Powder
Melting point  141°C
Boiling point  419.24°C (rough estimate)
density  1.2300 (rough estimate)
vapor pressure  0Pa at 22℃
refractive index  1.5200 (estimate)
Fp  2℃
storage temp.  2-8°C
solubility  methanol: 50 mg/mL, clear, colorless to faintly yellow
form  powder
pka 4.5(at 25℃)
color  white to white with yellow cast
Water Solubility  13mg/L(25 ºC)
Usage An antibiotic produced by Penicillium brevi-compactum, P. Stoloniferum and related spp. A selective inhibitor of lymphocyte proliferation by blocking inosine monophosphate dehydrogenase, an enzyme involved in the de novo synthesis of purine nucleot
Merck  13,6352
BRN  1295848
BCS Class 2?
Stability: Stable for 2 years from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20° for up to 3 months.
Major Application clinical testing
InChI 1S/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+
InChIKey HPNSFSBZBAHARI-RUDMXATFSA-N
SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O
LogP -1.83-2.28 at 25℃ and pH5-9
Dissociation constant 4.58-8.05 at 22.5-25℃
CAS DataBase Reference 24280-93-1(CAS DataBase Reference)
EPA Substance Registry System 4-Hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, (4E)- (24280-93-1)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)Health Hazard (GHS08)Environment (GHS09)
GHS07,GHS08,GHS09
Signal word  Danger
Hazard statements  H302-H341-H360D-H372-H410
Precautionary statements  P201-P202-P260-P273-P301+P312-P308+P313
Hazard Codes  Xn
Risk Statements 
R22:Harmful if swallowed.
R61:May cause harm to the unborn child.
R40:Limited evidence of a carcinogenic effect.
Safety Statements 
S53:Avoid exposure-obtain special instruction before use .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37:Wear suitable protective clothing and gloves .
RIDADR  2811
WGK Germany  3
RTECS  MP8050000
F  10
REACH Registrations Active
HazardClass  6.1(b)
PackingGroup  III
HS Code  29419000
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Aquatic Chronic 3
Eye Irrit. 2
Flam. Liq. 2
Toxicity
LD50 in mice (mg/kg): >1250 orally; 972.9±77 i.p. (Williams)

Hazard Information

Material Safety Data Sheet(MSDS)

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