Methotrexate Dimethyl Ester
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Product Description
Product
Methotrexate Dimethyl Ester
CAS
34378-65-9
Formula
C22H26N8O5
Synonym
METHOTREXATE DIMETHYL ESTER; N-[4-[[(2,4-DiaMino-6-pteridinyl)Methyl]MethylaMino]benzoyl]-L-glutaMic Acid DiMethyl Ester; DiMethyl Methotrexate
Typical Product Specifications
Molecular weight
482.49
SMILES
CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)OC)C(=O)OC
InChI
DIQFVFAFHNQUTG-HNNXBMFYSA-N
InChIKey
1S/C22H26N8O5/c1-30(11-13-10-25-19-17(26-13)18(23)28-22(24)29-19)14-6-4-12(5-7-14)20(32)27-15(21(33)35-3)8-9-16(31)34-2/h4-7,10,15H,8-9,11H2,1-3H3,(H,27,32)(H4,23,24,25,28,29)/t15-/m0/s1
log P (octanol-water)
0.54
Henry's Law Constant
1.58E-26 atm-m3/mole
Vapor Pressure
1.14E-16 mm Hg
Water solubility
320 mg/L
Atmospheric OH Rate Constant
3.12E-10 cm3/molecule-sec
Class
Methotrexate Dimethyl Ester
Product Description
Product
Methotrexate Dimethyl Ester
CAS
34378-65-9
Formula
C22H26N8O5
Synonym
METHOTREXATE DIMETHYL ESTER; N-[4-[[(2,4-DiaMino-6-pteridinyl)Methyl]MethylaMino]benzoyl]-L-glutaMic Acid DiMethyl Ester; DiMethyl Methotrexate
Typical Product Specifications
Molecular weight
482.49
SMILES
CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)OC)C(=O)OC
InChI
DIQFVFAFHNQUTG-HNNXBMFYSA-N
InChIKey
1S/C22H26N8O5/c1-30(11-13-10-25-19-17(26-13)18(23)28-22(24)29-19)14-6-4-12(5-7-14)20(32)27-15(21(33)35-3)8-9-16(31)34-2/h4-7,10,15H,8-9,11H2,1-3H3,(H,27,32)(H4,23,24,25,28,29)/t15-/m0/s1
log P (octanol-water)
0.54
Henry's Law Constant
1.58E-26 atm-m3/mole
Vapor Pressure
1.14E-16 mm Hg
Water solubility
320 mg/L
Atmospheric OH Rate Constant
3.12E-10 cm3/molecule-sec
Class
