AG0073DD

19741-14-1 | 4-[[(2,4-diamino-6-pteridinyl)methyl](methyl)amino]benzenecarboxylic acid

AG0073DD

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CAS Number	19741-14-1
Catalog Number	AG0073DD(AGN-PC-0WAIZ3)
Chemical Name	4-[[(2,4-diamino-6-pteridinyl)methyl](methyl)amino]benzenecarboxylic acid
IUPAC Name	4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoic acid
InChI	InChI=1S/C15H15N7O2/c1-22(10-4-2-8(3-5-10)14(23)24)7-9-6-18-13-11(19-9)12(16)20-15(17)21-13/h2-6H,7H2,1H3,(H,23,24)(H4,16,17,18,20,21)
InChI Key	LWCXZSDKANNOAR-UHFFFAOYSA-N
MDL Number	MFCD00075774
Molecular Formula	C15H15N7O2
Molecular Weight	325.3253
NSC Number	131463
SMILES	O=C(O)C1=CC=C(N(CC2=NC3=C(N)N=C(N)N=C3N=C2)C)C=C1
UNII	P7OVP484DX
Synonyms	2,4-diamino-N(10)-methylpteroic acid, 4-amino-4-deoxy-N 10-methylpteroic acid, 4-amino-4-deoxy-N-10-methylpteroic acid, 4-amino-4-deoxy-N-10-methylpteroic acid hydrochloride (2:1), 4-deoxy-4-amino-N(10)-methylpteroic acid, deoxyaminopteroic acid, N-10-methyl-4-deoxy-4-aminopteroate, 19741-14-1, Deoxyaminopteroic acid, 4-(((2,4-Diaminopteridin-6-yl)methyl)(methyl)amino)benzoic acid, NSC131463, DAMPA, UNII-P7OVP484DX, Methotrexate Impurity E, NSC 131463, 4-[n-(2,4-diamino-6-pteridinylmethyl)-n-methylamino]benzoic acid, P7OVP484DX, 4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoic acid, 4-[[(2,4-diamino-6-pteridinyl)methyl](methyl)amino]benzenecarboxylic acid, NSC 133723, ST057271, 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoic acid, 4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoic acid, 4-(N-(2,4-Diamino-6-pteridinylmethyl)-N-methylamino)benzoic acid, NSC133723, N10-Methyl-4-amino-4-deoxypteroic acid, 2,4-Apa, 4-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoic acid, 4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoic acid, N-10-Methyl-4-deoxy-4-aminopteroate, 2,4-Diamino-N(10)-methylpteroic acid, AC1Q5TWX, 4-Deoxy-4-amino-N(10)-methylpteroic acid, SCHEMBL221621, AC1L2I34, CHEMBL3544676, CTK4E2188, AOB5928, DTXSID20173427, LWCXZSDKANNOAR-UHFFFAOYSA-N, DC326, ZINC404265, BCP02884, 0170AB, GEO-03114, MFCD00075774, AKOS005110876, AN-7037, BCP9000998, MCULE-4079731373, NSC-131463, SS-3399, 4-Deoxy-4-amino-10-methylpteroic acid, KS-00002B10, AJ-22298, SC-48854, ST057536, BCP0726000313, AX8093312, NSC131463(NSC133723), SD-096947, FT-0665459, 4-[N-(2,4-Diamino-6-pteridinylmethyl)-N-methylamin, 4-{[(2,4-diaminopteridin-6-yl)methyl]methylamino}benzoic acid, 4-(N-((2,4-diaminopteridin-6-yl)methyl)-N-methylamino)benzoic acid, 4-[N-[(2,4-diamino-6-pteridinyl)methyl]-N-methylamino]benzoic acid, 4[N-(2,4-diamino-6-pteridinylme-thyl)-N-methylamino]benzoic acid, Benzoic acid, 4-[(2,4-diamino-6-pteridinylmethyl)methylamino]-, Benzoic acid, p-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]-, Benzoic acid,4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]-, 4-{[(2,4-diaminopteridin-6-yl)methyl]methylamino}benzoic acid, chloride, hydra te, Methotrexate metabolite|||4-[[(2,4-Diamino-6-pteridinyl)methyl]methylamino]-Benzoic acid, C15H15N7O2, CID72441, AR-1F9944, C15-H15-N7-O2, 4-Amino-4-deoxy-N10-methylpteroic acid, 4-Amino-4-deoxy-N-10-methylpteroic acid, A10655, 4-(((2,4-Diaminopteridin-6-yl)methyl)(methyl)amino)benzoicacid, 4-[[(2,4-Diamino-6-pteridinyl)-methyl]methylamino]benzoic acid, 4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]-benzoic acid, 4-[N-(2,4-Diamoni-6-Pteridinylmethyl)-N-Methylamino Benzoic acid, 20213-38-1,

Complexity	444
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	325.129g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	325.332g/mol
Monoisotopic Mass	325.129g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	144A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number