AG008SHJ

110104-37-5 | N2-Acetyl-9-[(2'-hydroxyethoxy)methyl]guanine

AG008SHJ

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CAS Number	110104-37-5
Catalog Number	AG008SHJ(AGN-PC-0P07UE)
Chemical Name	N2-Acetyl-9-[(2'-hydroxyethoxy)methyl]guanine
IUPAC Name	N-[9-(2-hydroxyethoxymethyl)-6-oxo-1H-purin-2-yl]acetamide
InChI	InChI=1S/C10H13N5O4/c1-6(17)12-10-13-8-7(9(18)14-10)11-4-15(8)5-19-3-2-16/h4,16H,2-3,5H2,1H3,(H2,12,13,14,17,18)
InChI Key	DJMINGJGFGSDDB-UHFFFAOYSA-N
MDL Number	MFCD01078801
Molecular Formula	C10H13N5O4
Molecular Weight	267.2413
SMILES	OCCOCN1C=2N=C(NC(C2N=C1)=O)NC(C)=O
UNII	G007Q63G24
Synonyms	N2-Acetylaciclovir, 110104-37-5, Acyclovir Impurity F, N2-ACETYL-9-[(2'-HYDROXYETHOXY)METHYL]GUANINE, UNII-G007Q63G24, G007Q63G24, 9-((2-Hydroxyethoxy)methyl)-N2-acetylguanine, 9-[(2-Hydroxyethoxy)methyl]-N2-acetylguanine, Aciclovir impurity F [EP], N-(9-((2-Hydroxyethoxy)methyl)-6-oxo-6,9-dihydro-1H-purin-2-yl)acetamide, N-{9-[(2-hydroxyethoxy)methyl]-6-oxo-6,9-dihydro-1H-purin-2-yl}acetamide, N2-Acetylacyclovir, N2-Acetyl Acyclovir, AC1MJAJO, BAS 00485785, SCHEMBL8444939, DTXSID60149146, BCP06563, ZINC2472815, AKOS000656179, MCULE-9445518032, VZ33442, Acetamide, N-(6,9-dihydro-9-((2-hydroxyethoxy)methyl)-6-oxo-1H-purin-2-yl)-, CC-32175, SC-58413, EU-0034988, FT-0642690, C-16749, N-[9-(2-hydroxyethoxymethyl)-6-oxo-1H-purin-2-yl]acetamide, N-[9-(2-hydroxyethoxymethyl)-6-oxo-3H-purin-2-yl]acetamide, N-[6,9-Dihydro-9-[(2-hydroxyethoxy)methyl]-6-oxo-1H-purin-2-yl]acetamide, N-[9-(2-Hydroxy-ethoxymethyl)-6-oxo-6,9-dihydro-1H-purin-2-yl]-acetamide, Acetamide,N-[6,9-dihydro-9-[(2-hydroxyethoxy)methyl]-6-oxo-1H-purin-2-yl]-, N-[9-[(2-Hydroxyethoxy)-methyl]-6-oxo-6,9-dihydro-1H-purin-2-yl]acetamide, CID3109164, CS-T-47067,

Complexity	399
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	267.097g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	267.245g/mol
Monoisotopic Mass	267.097g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	118A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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