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Mycophenolate mofetil hydrochloride

CAT: 0931-T23035-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T23035-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
116680-01-4
Target
Others, Endogenous Metabolite, Antibacterial
Related Pathways
Metabolism, Others, Microbiology/Virology
Bioactivity
Mycophenolate Mofetil is a non-competitive, selective, and reversible inhibitor of inosine monophosphate dehydrogenase I/II (IC50: 39 nM and 27 nM, respectively) .
Smiles
CC1=C2C(=C(O)C(C/C=C(/CCC(OCCN3CCOCC3)=O)\C)=C1OC)C(=O)OC2.Cl
Molecular Formula
C23H32ClNO7
Molecular Weight
469.96
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Mycophenolate Mofetil Hydrochloride

See also: Mycophenolic Acid (has active moiety); Mycophenolate Sodium (related).

CAS Number116680-01-4
PubChem CID6441022
IUPAC Name2-morpholin-4-ylethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate;hydrochloride
Molecular FormulaC23H32ClNO7
Molecular Weight470.0
Topological Polar Surface Area94.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count32
Formal Charge0
Complexity646
SMILES
CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)OCCN3CCOCC3)O.Cl
InChI
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+;
InChIKey
OWLCGJBUTJXNOF-HDNKIUSMSA-N
Chemical Structure
2D Structure
2D structure of Mycophenolate Mofetil Hydrochloride
CAS: 116680-01-4
CID: 6441022
Formula: C23H32ClNO7
MW: 470.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight470.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass469.1867301
Monoisotopic Mass469.1867301
Topological Polar Surface Area94.5 Ų
Heavy Atom Count32
Formal Charge0
Complexity646
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

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B1101-200Mycophenolate mofetil hydrochloride
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