861553
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)
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
95%
Form:
solid
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
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 key
WNEOWYPFBJYPOO-UHFFFAOYSA-N
assay
95%
form
solid
mp
255 °C (dec.) (lit.)
functional group
amine, carboxylic acid
Quality Level
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