N10-Methyl Pteroic Acid

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Names

[ CAS No. ]:
5623-18-7

[ Name ]:
N10-Methyl Pteroic Acid

[Synonym ]:
4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-methylamino]benzoic acid
4-[Methyl[(2-Amino-4-Hydroxypteridine)-6-Ylmethyl]Amino]Benzoic Acid
Methotrexate Impurity 4

Chemical & Physical Properties

[ Density]:
1.58g/cm3

[ Boiling Point ]:
668.3ºC at 760 mmHg

[ Molecular Formula ]:
C15H14N6O3

[ Molecular Weight ]:
326.31000

[ Flash Point ]:
357.9ºC

[ Exact Mass ]:
326.11300

[ PSA ]:
138.09000

[ LogP ]:
1.21110

[ Index of Refraction ]:
1.757

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DG2800000
CHEMICAL NAME :
Benzoic acid, p-((N-(2-amino-4-hydroxy)pteridin-6-ylmethyl)-N-methy lamino)-
CAS REGISTRY NUMBER :
5623-18-7
BEILSTEIN REFERENCE NO. :
0338741
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C15-H14-N6-O3
MOLECULAR WEIGHT :
326.35
WISWESSER LINE NOTATION :
T66 BN DN GN JNJ CZ EQ H1N1&R BVQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Parenteral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 7,686,1955

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 4-Aminobenzoic acid
  • 6-Hydroxy-2,4,5-triaminopyrimidine
  • Propanal, 2,3-dibromo-
  • 4-Methylamino-benzoic acid
  • 4-Amino-4-deoxy-10-methylpteroic acid

DownStream

Related Compounds

  • N10-(Trifluoroacetyl)pteroic acid
  • Diacetylpteroic acid
  • Benzoic acid,4-[[(2-amino-3,4-dihydro-4-oxo-6-pteridinyl)methyl]formylamino]-
  • Folic Acid
  • folitixorin
  • 4-(((2-Amino-4-oxo-3,4-dihydropteridin-6-yl)methyl)amino)benzoic acid
  • N-Methyl-N-[(4-pyrrolidin-3-yloxypyridin-2-yl)methyl]propan-2-amine;trihydrochloride
  • 2-Bromo-3-methyl-5,6,7,8-tetrahydro-9H-pyrazino[2,3-e][1,4]diazepin-9-one
  • 1-(3-Bromophenoxy)-2-(difluoromethyl)benzene
  • 1,4-Dibromo-2-(difluoromethyl)-5-methylbenzene
  • 2-(4-Bromophenoxy)-3-(difluoromethyl)pyridine
  • 3-(Difluoromethyl)isoquinoline-5-carboxylic acid
  • 3-(Difluoromethyl)quinoline-4-carboxylic acid
  • N-((2,2,3,3-Tetramethylcyclopropyl)methyl)thietan-3-amine
  • 2-[Methyl(prop-2-yn-1-yl)amino]-1,3-thiazole-4-carboxylic acid
  • (R)-2-(5-Iodo-2-methylphenyl)piperidine
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