Chemical Properties of Methotrexate (CAS 59-05-2)

Methotrexate

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InChI
InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)
InChI Key
FBOZXECLQNJBKD-UHFFFAOYSA-N
Formula
C20H22N8O5
SMILES
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1
Molecular Weight1
454.44
CAS
59-05-2
Other Names
  • L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-
  • Glutamic acid, N-[p-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, L-(+)-
  • Amethopterin
  • CL-14377
  • MTX
  • NSC 740
  • R 9985
  • 4-Amino-N10-methylpteroylglutamic acid
  • 4-Amino-10-methylfolic acid
  • (+)-Amethopterin
  • L-Amethopterin
  • Amethopterine
  • Antifolan
  • EMT 25,299
  • Glutamic acid, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, L-
  • Hdmtx
  • L-(+)-N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)glutamic acid
  • Metatrexan
  • Methotextrate
  • Methylaminopterin
  • N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-L-(+)-glutamic acid
  • N-(p-((2,4-Diamino-6-pteridyl)methyl)methylamino)benzoyl)glutamic acid, (L)-
  • N-Bismethylpteroylglutamic acid
  • NCI-C04671
  • X 133
  • Emtexate
  • Kyselina 4-amino-N10-methylpteroylglutamova
  • Kyselina N-(p-((2,4-diamino-6-pteridinylmethyl)methylamino)benzoyl)-L-glutamova
  • Ledertrexate
  • Methotrexat
  • Methylaminopterinum
  • Mexate
  • Rheumatrex
  • N-(4-[[(2,4-Diamino-6-pteridinyl)methyl](methyl)amino]benzoyl)glutamic acid, (L)-
  • Methotrexat-Ebewe
  • Trexall
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Physical Properties

Property Value Unit Source
log10WS -3.95 Crippen Calculated Property
logPoct/wat 0.268 Crippen Calculated Property
McVol 321.970 ml/mol McGowan Calculated Property

Similar Compounds

Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl, 5'-O-acetyl. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-acetyl. Zinc octaethylporphyrin chloride. Nalmefene, trimethylsilyl ether. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine. Ergocristine. Codeine-propionyl.

Find more compounds similar to Methotrexate.

Sources

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