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Substance Name: Dimethyl methotrexate
RN: 34378-65-9
UNII: 069DRA2V4U
InChIKey: DIQFVFAFHNQUTG-HNNXBMFYSA-N

Molecular Formula

  • C22-H26-N8-O5

Molecular Weight

  • 482.4984
 
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Names and Synonyms

Results Name

  • Dimethyl methotrexate

Name of Substance

  • Methotrexate dimethyl ester

Synonyms

  • Dimethyl methotrexate
  • UNII-069DRA2V4U

Systematic Name

  • Glutamic acid, N-(p-(((2,4-diamino-6- pteridinyl)methyl)methylamino)benzoyl)-, dimethyl ester, L-(+)-

Registry Numbers

CAS Registry Number

  • 34378-65-9

FDA UNII

  • 069DRA2V4U

System Generated Number

  • 0034378659

Structure Descriptors

InChI

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

InChIKey

DIQFVFAFHNQUTG-HNNXBMFYSA-N

Smiles

CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)OC)C(=O)OC

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.54 (none)   EXP
Water Solubility 320 mg/L 25 EST
Vapor Pressure 1.14E-16 mm Hg 25 EST
Henry's Law Constant 1.58E-26 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.12E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.