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Calcium Levofolinate EP Impurity E

CAT: 1299-RM-L051505-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-L051505-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
944737-05-7
Synonyms
(S) -4- (((2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl) methyl) amino) benzoic acid
Molecular Formula
C15H16N6O4
Molecular Weight
344.33
Target Alternative Name
Levofolinate
Product Name Synonym
(S) -4- (((2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl) methyl) amino) benzoic acid

Chemical Information

4-[[[(6S)-2-Amino-5-formyl-3,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl]methyl]amino]benzoic acid
CAS Number944737-05-7
PubChem CID136987560
IUPAC Name4-[[(6S)-2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoic acid
Molecular FormulaC15H16N6O4
Molecular Weight344.33
XLogP-0.5
Topological Polar Surface Area149
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity638
SMILES
C1[C@@H](N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C15H16N6O4/c16-15-19-12-11(13(23)20-15)21(7-22)10(6-18-12)5-17-9-3-1-8(2-4-9)14(24)25/h1-4,7,10,17H,5-6H2,(H,24,25)(H4,16,18,19,20,23)/t10-/m0/s1
InChIKey
CQQLECJFFZOOBZ-JTQLQIEISA-N
Chemical Structure
2D Structure
2D structure of 4-[[[(6S)-2-Amino-5-formyl-3,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl]methyl]amino]benzoic acid
CAS: 944737-05-7
CID: 136987560
Formula: C15H16N6O4
MW: 344.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.33
XLogP3-0.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass344.12330301
Monoisotopic Mass344.12330301
Topological Polar Surface Area149 Ų
Heavy Atom Count25
Formal Charge0
Complexity638
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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AR-F01967-01Calcium Levofolinate EP Impurity H
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