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Substance Name: Methopterin
RN: 2410-93-7
UNII: 9TJY624421
InChIKey: HLIXOCXUWGDBNP-ZDUSSCGKSA-N

Molecular Formula

  • C20-H21-N7-O6

Molecular Weight

  • 455.429
 
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Names and Synonyms

Name of Substance

  • Methopterin
  • N(10)-Methylfolate

Synonyms

  • 10-Methylfolic acid
  • 10-Methylpteroylglutamic acid
  • alpha-Methopterin
  • Methopterine
  • N-(p-(((2-Amino-4-hydroxy-6-pteridyl)methyl)methylamino)benzoyl)glutamic acid
  • N10-Methylfolic acid
  • N10-Methylpteroylglutamic acid
  • NSC 107144
  • UNII-9TJY624421

Systematic Names

  • Glutamic acid, N-(p-(((2-amino-3,4-dihydro-4-oxo-6-pteridinyl)methyl)methylamino)benzoyl)-, L-
  • Glutamic acid, N-(p-(((2-amino-4-hydroxy-6-pteridyl)methyl)methylamino)benzoyl)-
  • L-Glutamic acid, N-(4-(((2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl)methylamino)benzoyl)-

Registry Numbers

CAS Registry Number

  • 2410-93-7

FDA UNII

  • 9TJY624421

Other Registry Numbers

  • 16136-17-7
  • 25061-98-7
  • 67036-47-9
  • 7171-00-8

System Generated Number

  • 0002410937

Structure Descriptors

InChI

1S/C20H21N7O6/c1-27(9-11-8-22-16-15(23-11)18(31)26-20(21)25-16)12-4-2-10(3-5-12)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,8,13H,6-7,9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H3,21,22,25,26,31)/t13-/m0/s1

InChIKey

HLIXOCXUWGDBNP-ZDUSSCGKSA-N

Smiles

C(N[C@@H](CCC(=O)O)C(O)=O)(c1ccc(N(Cc2nc3c(nc(nc3=O)N)[nH]c2)C)cc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo parenteral 1200mg/kg (1200mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 7, Pg. 688, 1955.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -2.730 (none)   EST
Atmospheric OH Rate Constant 1.20E-10 cm3/molecule-sec 25 EST

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