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861553

Sigma-Aldrich

4-[N-(2,4-Diamino-6-pteridinylmethyl)-N-methylamino]benzoic acid hemihydrochloride hydrate

95%

Synonym(s):

N10-Methyl-4-amino-4-deoxypteroic acid

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About This Item

Empirical Formula (Hill Notation):
C15H15N7O2 · 0.5HCl · xH2O
Molecular Weight:
343.56 (anhydrous basis)
MDL number:
MFCD00150084
UNSPSC Code:
12352100
PubChem Substance ID:
24888549
NACRES:
NA.22

Quality Level

200

Assay

95%

form

solid

mp

255 °C (dec.) (lit.)

SMILES string

O.Cl.CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(O)=O.CN(Cc4cnc5nc(N)nc(N)c5n4)c6ccc(cc6)C(O)=O

InChI

1S/2C15H15N7O2.ClH.H2O/c2*1-22(10-4-2-8(3-5-10)14(23)24)7-9-6-18-13-11(19-9)12(16)20-15(17)21-13;;/h2*2-6H,7H2,1H3,(H,23,24)(H4,16,17,18,20,21);1H;1H2

InChI key

WNEOWYPFBJYPOO-UHFFFAOYSA-N

Related Categories

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H317

Precautionary Statements

P280

Hazard Classifications

Skin Sens. 1

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

Certificates of Analysis (COA)

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