N10-Methyl Pteroic Acid

CAT: 0024-sc-483109Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-483109Size:50 mg

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CAS Number

5623-18-7

Chemical Information

Metfol-B

CAS Number	5623-18-7
PubChem CID	135441780
IUPAC Name	4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-methylamino]benzoic acid
Molecular Formula	C15H14N6O3
Molecular Weight	326.31
XLogP	-0.2
Topological Polar Surface Area	134
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	24
Formal Charge	0
Complexity	531

SMILES

CN(CC1=CN=C2C(=N1)C(=O)NC(=N2)N)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C15H14N6O3/c1-21(10-4-2-8(3-5-10)14(23)24)7-9-6-17-12-11(18-9)13(22)20-15(16)19-12/h2-6H,7H2,1H3,(H,23,24)(H3,16,17,19,20,22)

InChIKey

QHNLFEQJGRZKTK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5623-18-7

CID: 135441780

Formula: C15H14N6O3

MW: 326.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	326.31
XLogP3	-0.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	326.11273833
Monoisotopic Mass	326.11273833
Topological Polar Surface Area	134 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	531
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-253166	N10- (Trifluoroacetyl) pteroic acid
sc-250800A	Pteroic acid
sc-250800	Pteroic acid
sc-484979	N10-Monodesmethyl N10-Benzyl Rizatriptan
sc-212338	N10-Monodesmethyl Rizatriptan
sc-208312	Rizatriptan N10-Oxide
sc-487768	N10-Monodesmethyl Rizatriptan Benzoate
sc-219309	N10-Monodesmethyl Rizatriptan-d3
sc-53344	Ig λ chain (N10/2)
sc-472577	Rizatriptan N10-Oxide-d6

Catalog	Name
TRC-M326265-100MG	N10-Methyl Pteroic Acid
PC99604-01	N10- (Trifluoroacetyl) pteroic acid
HY-79139-01	Pteroic acid
IP163598-01	Pteroic acid, min95%
TRC-P840110-25MG	Pteroic Acid (>85%)
HY-79139R-01	Pteroic acid (Standard)
TRC-P840175-100MG	Pteroic Acid NHS Ester
AR-P33189-01	Pteroic Acid Impurity 1
AR-P03238-01	Pteroic Acid Impurity 2
TRC-T789700-50MG	N10-Trifluoroacetylpteroic Acid