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D1393

Sigma-Aldrich

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
MDL number:
MFCD00006709
UNSPSC Code:
12352106
PubChem Substance ID:
24893425
NACRES:
NA.28

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biological source

synthetic (organic)

Assay

≥95% (TLC)

form

powder

color

yellow to orange

SMILES string

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

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

InChI key

NDXULQWYAMJQGC-UHFFFAOYSA-M

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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

Signal Word

Warning

Hazard Statements

H302 + H312 + H332

Hazard Classifications

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

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

D1393-50MG:
D1393-250MG:
D1393-VAR:
D1393-BULK:
D1393-100MG:

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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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