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Calcium Folinate Impurity 10

CAT: 1299-RM-C322010-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C322010-01Size:10 mg
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CAS Number
4299-32-5
Synonyms
4- (((2-amino-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl) methyl) amino) benzoic acid
Molecular Formula
C14H16N6O3
Molecular Weight
316.32
Target Alternative Name
Calcium Folinate

Chemical Information

4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl)methylamino]benzoic acid
CAS Number4299-32-5
PubChem CID136008705
IUPAC Name4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl)methylamino]benzoic acid
Molecular FormulaC14H16N6O3
Molecular Weight316.32
XLogP0.1
Topological Polar Surface Area141
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity565
SMILES
C1C(NC2=C(N1)N=C(NC2=O)N)CNC3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C14H16N6O3/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/h1-4,9,16,18H,5-6H2,(H,22,23)(H4,15,17,19,20,21)
InChIKey
OXIZGFYJYJOABB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl)methylamino]benzoic acid
CAS: 4299-32-5
CID: 136008705
Formula: C14H16N6O3
MW: 316.32
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.32
XLogP30.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass316.12838839
Monoisotopic Mass316.12838839
Topological Polar Surface Area141 Ų
Heavy Atom Count23
Formal Charge0
Complexity565
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
RM-C322006-01Calcium Folinate Impurity 6
RM-C322008-01Calcium Folinate Impurity 8
RM-C322002-01Calcium Folinate Impurity 2
RM-C322014-01Calcium Folinate Impurity 14
RM-C322013-01Calcium Folinate Impurity 13
RM-C322012-01Calcium Folinate Impurity 12
RM-C322001-01Calcium Folinate Impurity 1
RM-C322005-01Calcium Folinate Impurity 5
RM-C322003-01Calcium Folinate Impurity 3
RM-C322011-01Calcium Folinate Impurity 11

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AR-C05825-01Calcium Folinate-d4
AR-F11131-01Calcium Folinate Dimer
270606-01Calcium folinate discontinued. See F5810
RBA92789Folinate calcium pentahydrate (old ref. = c0607)
AR-C01347-01Carbasalate Calcium Impurity A
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