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Merck
CN

D1393

4-(N-[2,4-Diamino-6-pteridinylmethyl]amino)benzoic acid sodium salt

≥95% (TLC)

Synonym(s):

4-Amino-4-deoxypteroic acid

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About This Item

Linear Formula:
C14H12N7O2Na
CAS Number:
100929-45-1
Molecular Weight:
333.28
NACRES:
NA.28
PubChem Substance ID:
24893425
UNSPSC Code:
12352106
MDL number:
MFCD00006709

Key Documents

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Product Name

4-(N-[2,4-Diamino-6-pteridinylmethyl]amino)benzoic acid sodium salt, ≥95% (TLC)

InChI

1S/C14H13N7O2.Na/c15-11-10-12(21-14(16)20-11)18-6-9(19-10)5-17-8-3-1-7(2-4-8)13(22)23;/h1-4,6,17H,5H2,(H,22,23)(H4,15,16,18,20,21);/q;+1/p-1

SMILES string

[Na+].Nc1nc(N)c2nc(CNc3ccc(cc3)C([O-])=O)cnc2n1

InChI key

NDXULQWYAMJQGC-UHFFFAOYSA-M

biological source

synthetic (organic)

assay

≥95% (TLC)

form

powder

color

yellow to orange

Quality Level

200

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Application

4-(N-[2,4-Diamino-6-pteridinylmethyl]amino)benzoic acid is an impurity found in methotrexate preparations. It may be used as a reference compound in methothrexate purity analysis.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
SLCL4615
SLCK7611
SLBZ1807
SLBK3441V
SLBF1348V

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Roberto Gotti et al.
Electrophoresis, 25(16), 2830-2837 (2004-09-08)
A cyclodextrin-modified micellar electrokinetic chromatographic (CD-MEKC) method for the determination of the most important potential impurities of methotrexate (MTX): 2,4-diamino-6-(hydroxymethyl)pteridine, aminopterine hydrate, 4-[N-(2-amino-4-hydroxy-6-pteridinylmethyl)-N-methylamino] benzoic acid, 4-[N-(2,4-diamino-6-pteridinylmethyl)-N-methylamino] benzoic acid, and the distomer D-MTX is presented. The MEKC separation of these compounds

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