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Folic Acid EP Impurity D

CAT: 1596-AR-F02282-01Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-F02282-01Size:100 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
119-24-4
Synonyms
Methotrexate EP Impurity D N-Desmethyl Impurity; pteroic acid; 4-[[ (2-Amino-3,4-dihydro-4-oxo-6-pteridinyl) methyl]amino]benzoic Acid; NSC 14972; Pyrofolicacid; p-[ (2-Amino-4-hydroxy-6-pteridylmethyl) amino]benzoic Acid
Molecular Formula
C14H12N6O3
Molecular Weight
312.28
API Name
Folic Acid

Chemical Information

Pteroic Acid

4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoic acid is a pteroic acid. It is functionally related to a 2-aminopteridin-4-ol. It is a conjugate base of a 2-amino-6-{[(4-carboxyphenyl)amino]methyl}-4-hydroxypteridin-1-ium. It is a conjugate acid of a 4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoate. It is a tautomer of a 4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoic acid and a 4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}benzoic acid.

CAS Number119-24-4
PubChem CID135398749
IUPAC Name4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoic acid
Molecular FormulaC14H12N6O3
Molecular Weight312.28
XLogP-0.3
Topological Polar Surface Area143
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity503
SMILES
C1=CC(=CC=C1C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N
InChI
InChI=1S/C14H12N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,6,16H,5H2,(H,22,23)(H3,15,17,19,20,21)
InChIKey
JOAQINSXLLMRCV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pteroic Acid
CAS: 119-24-4
CID: 135398749
Formula: C14H12N6O3
MW: 312.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.28
XLogP3-0.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass312.09708827
Monoisotopic Mass312.09708827
Topological Polar Surface Area143 Ų
Heavy Atom Count23
Formal Charge0
Complexity503
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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