Folinic Acid Impurity 1

CAT: 1299-RM-L051301-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-L051301-01Size:10 mg

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CAS Number

4349-41-1

Synonyms

4- (((2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl) methyl) amino) benzoic acid

Molecular Formula

C15H18N6O3

Molecular Weight

330.34

Target Alternative Name

Folinic Acid

Product Name Synonym

4- (((2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl) methyl) amino) benzoic acid

Chemical Information

5-Methyltetrahydropteroic acid

CAS Number	4349-41-1
PubChem CID	136666734
IUPAC Name	4-[(2-amino-5-methyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoic acid
Molecular Formula	C15H18N6O3
Molecular Weight	330.34
XLogP	0.3
Topological Polar Surface Area	132
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	24
Formal Charge	0
Complexity	594

SMILES

CN1C(CNC2=C1C(=O)NC(=N2)N)CNC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C15H18N6O3/c1-21-10(6-17-9-4-2-8(3-5-9)14(23)24)7-18-12-11(21)13(22)20-15(16)19-12/h2-5,10,17H,6-7H2,1H3,(H,23,24)(H4,16,18,19,20,22)

InChIKey

OCWWMSJBVHBZEF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4349-41-1

CID: 136666734

Formula: C15H18N6O3

MW: 330.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	330.34
XLogP3	0.3
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	330.14403846
Monoisotopic Mass	330.14403846
Topological Polar Surface Area	132 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	594
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes