AG00FDDQ

Name: (S)-4-(4-(((2,4-Diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)-5-methoxy-5-oxopentanoic acid
Brand: Angene Chemical
SKU: AG00FDDQ

66147-29-3 | (S)-4-(4-(((2,4-Diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)-5-methoxy-5-oxopentanoic acid

Chemical structure of (S)-4-(4-(((2,4-Diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)-5-methoxy-5-oxopentanoic acid, CAS 66147-29-3

AG00FDDQ

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COA

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CAS Number	66147-29-3
Catalog Number	AG00FDDQ(AGN-PC-0TJKPE)
Chemical Name	(S)-4-(4-(((2,4-Diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)-5-methoxy-5-oxopentanoic acid
IUPAC Name	(4S)-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-methoxy-5-oxopentanoic acid
InChI	InChI=1S/C21H24N8O5/c1-29(10-12-9-24-18-16(25-12)17(22)27-21(23)28-18)13-5-3-11(4-6-13)19(32)26-14(20(33)34-2)7-8-15(30)31/h3-6,9,14H,7-8,10H2,1-2H3,(H,26,32)(H,30,31)(H4,22,23,24,27,28)/t14-/m0/s1
InChI Key	JYFDQHNTJJOKAS-AWEZNQCLSA-N
MDL Number	MFCD30720350
Molecular Formula	C21H24N8O5
Molecular Weight	468.4659
SMILES	NC1=NC2=NC=C(N=C2C(=N1)N)CN(C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)OC)C=C1)C
UNII	5NL2U9S7K1
Synonyms	UNII-5NL2U9S7K1, 5NL2U9S7K1, 66147-29-3, Methotrexate 1-methyl ester, 1-Methy methotrexate, Methotrexate alpha-methyl ester, Methotrexate related compound I, Methotrexate related compound I [USP], Methotrexate specified impurity I [EP], (4S)-4-((4-(((2,4-Diaminopteridin-6-yl)methyl)methylamino)benzoyl)amino)-5-methoxy-5-oxopentanoic acid, L-Glutamic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, 1-methyl ester, Methotrexate EP Impurity I, Methotrexate \|A-Methyl Ester, CS-T-32161,

Complexity	719
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	468.187g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	468.474g/mol
Monoisotopic Mass	468.187g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	200A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.5

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited