AG0033TW

37793-53-6 | N10-Trifluoroacetylpteroic acid

AG0033TW

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CAS Number	37793-53-6
Catalog Number	AG0033TW(AGN-PC-0REQUP)
Chemical Name	N10-Trifluoroacetylpteroic acid
IUPAC Name	4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-(2,2,2-trifluoroacetyl)amino]benzoic acid
InChI	InChI=1S/C16H11F3N6O4/c17-16(18,19)14(29)25(9-3-1-7(2-4-9)13(27)28)6-8-5-21-11-10(22-8)12(26)24-15(20)23-11/h1-5H,6H2,(H,27,28)(H3,20,21,23,24,26)
InChI Key	IJGIHDXKYQLIMA-UHFFFAOYSA-N
MDL Number	MFCD00006707
Molecular Formula	C16H11F3N6O4
Molecular Weight	408.2915
SMILES	FC(C(=O)N(C1=CC=C(C(=O)O)C=C1)CC1=CN=C2N=C(N)NC(=O)C2=N1)(F)F
Synonyms	37793-53-6, N10-(Trifluoroacetyl)pteroic acid, 4-(N-((2-Amino-4-oxo-3,4-dihydropteridin-6-yl)methyl)-2,2,2-trifluoroacetamido)benzoic acid, AC1NCZ59, CHEMBL46163, n10-trifluoroacetylpteroic acid, AK109233, 4-(N-((2-Amino-4-oxo-3,4-dihydropteridin-6-yl)-methyl)-2,2,2-trifluoroacetamido)benzoic acid, 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-(2,2,2-trifluoroacetyl)amino]benzoic Acid, 4-{N-[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]-2,2,2-trifluoroacetamido}benzoic acid, N10-Trifluroacetylpteroic acid, SCHEMBL1229438, SCHEMBL12867928, CTK8C4743, 10-(trifluoroacetyl)pteroic acid, DTXSID50403885, N10 -Trifluoroacetylpteroic Acid, IJGIHDXKYQLIMA-UHFFFAOYSA-N, BCP04835, EX-A2651, ZINC6565581, 4839AB, ANW-72971, BDBM50099676, AKOS015901780, AKOS015995563, N(sup 10)-(trifluoroacetyl)pteroic acid, AJ-64490, N10-(Trifluoroacetyl)pteroic acid, 95%, SC-20238, ST056385, AB1011823, AX8142711, DB-008648, FT-0639412, T-5100, I14-14114, 4-(N-((2-amino-4-hydroxypteridin-6-yl)methyl)-2,2,2-trifluoroacetamido)benzoic acid, 4-[(2-Amino-4-hydroxy-pteridin-6-ylmethyl)-(2,2,2-trifluoro-acetyl)-amino]-benzoic acid, 4-[(2-Amino-4-hydroxypteridine-6-ylmethyl)(trifluoroacetyl)amino]benzoic acid, 4-[[(2-amino-3,4-dihydro-4-oxo-6-pteridinyl)methyl](2,2,2-trifluoroacetyl)amino]-Benzoic acid, 4-{N-[(2-amino-4-oxo(8-hydropteridin-6-yl))methyl]-2,2,2-trifluoroacetylamino} benzoic acid, null, N10-(Trifluoroacetyl)pteroicacid, C16H11F3N6O4, CID4519673,

Complexity	707
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	408.079g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	408.297g/mol
Monoisotopic Mass	408.079g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	151A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H312-H315-H319-H332-H335-H350
Packing Group	Ⅲ
Precautionary statements	P201-P261-P280-P305+P351+P338-P308+P313
UN Code	UN 2811

Certificate of Analysis

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