AG0035SE

69-93-2 | 1H-Purine-2,6,8(3H,7H,9H)-trione

AG0035SE

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CAS Number	69-93-2
Catalog Number	AG0035SE(AGN-PC-00UNV6)
Chemical Name	1H-Purine-2,6,8(3H,7H,9H)-trione
EC Number	200-720-7
IUPAC Name	7,9-dihydro-3H-purine-2,6,8-trione
InChI	InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)
InChI Key	LEHOTFFKMJEONL-UHFFFAOYSA-N
MDL Number	MFCD00005712
Molecular Formula	C5H4N4O3
Molecular Weight	168.1103
NSC Number	3975
SMILES	O=C(NC(N1)=C2NC1=O)NC2=O
UNII	268B43MJ25
Synonyms	2,6,8-Trihydroxypurine, Acid Urate, Ammonium, Acid Urate, Sodium, Acid, Uric, Ammonium Acid Urate, Monohydrate, Monosodium Urate, Monohydrate, Sodium Urate, Monosodium Urate, Monosodium Urate Monohydrate, Potassium Urate, Sodium Acid Urate, Sodium Acid Urate Monohydrate, Sodium Urate, Sodium Urate Monohydrate, Trioxopurine, Urate, Urate Monohydrate, Monosodium, Urate Monohydrate, Sodium, Urate, Ammonium Acid, Urate, Monosodium, Urate, Potassium, Urate, Sodium, Urate, Sodium Acid, Uric Acid, uric acid, 69-93-2, urate, 2,6,8-trioxypurine, Lithic acid, 2,6,8-trihydroxypurine, 7,9-Dihydro-1H-purine-2,6,8(3H)-trione, 2,6,8-Trioxopurine, 8-hydroxyxanthine, 1H-Purine-2,6,8-triol, 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-, Purine-2,6,8(1H,3H,9H)-trione, AI3-15432, 2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione, NSC 3975, 7,9-dihydro-3H-purine-2,6,8-trione, UNII-268B43MJ25, EINECS 200-720-7, MFCD00005712, CHEMBL792, 9H-purine-2,6,8-triol, 1H-purine-2,6,8(3H,7H,9H)-trione, CHEBI:17775, LEHOTFFKMJEONL-UHFFFAOYSA-N, Ammonium urate, 268B43MJ25, NCGC00181032-01, 8-Hydroxy-3,9-Dihydro-1h-Purine-2,6-Dione, 6,8-Dioxo-6,7,8,9-tetrahydro-1H-purin-2-olate, trioxopurine, URC, Lithate, hypoxanthinediol, C5H4N4O3, 2,8-Trioxopurine, 2,8-Trioxypurine, 8HX, URICACID, Uric acid (8CI), 2,8-Trihydroxypurine, Uric acid, 99+%, 1l5s, ACMC-209obr, 2,6,8-trihydroxypurin, Purine-2,6,8-triol, 1H-Purine-2,8-triol, Uric acid, 99.0%, bmse000126, H-Purine-2,6,8-triol, AC1L1AW8, SCHEMBL7933, 7H-purine-2,6,8-triol, DSSTox_CID_22508, DSSTox_RID_80044, DSSTox_GSID_42508, ARONIS25145, C5NH44O3, GTPL4731, DTXSID3042508, SCHEMBL15777793, SCHEMBL17081907, CHEBI:46811, CHEBI:46814, CHEBI:46817, CHEBI:46823, CHEBI:62589, CTK3J1692, CTK8E5591, KS-00000WXE, NSC3975, Uric acid, >=99%, crystalline, HMS3604N17, BCP28980, HY-B2130, NSC-3975, Purine-2,8(1H,3H,9H)-trione, ZINC2041003, Tox21_113563, 2094AH, 7355AF, ANW-35797, BDBM50325824, STL185577, 1,3,7-trihydropurine-2,6,8-trione, AKOS000118731, Purine-3,6,8(1H,3H,9H)-trione, ACN-049285, DB08844, MCULE-3320087210, NE10407, Uric acid, NIST(R) SRM(R) 913b, CAS-69-93-2, KS-0000471X, purine-2,6,8-(1H,3H,9H)-trione, Uric acid, BioXtra, >=99% (HPLC), AN-23789, 6-hydroxy-1H-purine-2,8(7H,9H)-dione, DB-055359, LS-160798, 2,6-dihydroxy-7,9-dihydro-8H-purin-8-one, CS-0020287, FT-0631301, ST45053931, U0018, 1H-Purine-2,8(3H)-trione, 7,9-dihydro-, 7,9-Dihydro-3H-purine-2,6,8-trione(Urate), C00366, U-6050, 1H-Purine-2,6,8-triol 2,6,8-Trihydroxypurine, 69526-EP2295435A1, 69526-EP2308861A1, 7,9-Dihydro-3H-purine-2,6,8-trione(uric acid), SR-01000945208, SR-01000945208-1, 565FF3AF-8AFA-4EE9-9FC4-6B119784A5BB, I14-47334, 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro- (9CI), Z1318255135, InChI=1/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12, Potassium Urate, Monosodium urate, Urate, Sodium, Urate, Potassium, Sodium acid urate, Urate, Monosodium, Acid, Uric, Ammonium Acid Urate, Acid Urate, Sodium, Urate, Sodium Acid, Acid Urate, Ammonium, Urate, Ammonium Acid, SODIUM URATE, Sodium Urate Monohydrate, Monohydrate, Sodium Urate, Urate Monohydrate, Sodium, D0D3CS, Monosodium urate monohydrate, Uric acid, 99% 25g, Monohydrate, Monosodium Urate, Sodium Acid Urate Monohydrate, Urate Monohydrate, Monosodium, Uric Acid 99% AR 25gm, CID1175, C5-H4-N4-O3, ZINC00895200, CS-T-46164, Uric acid, 98% - 100G 100g, D014527,

Complexity	332
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.028g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	168.112g/mol
Monoisotopic Mass	168.028g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	99.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number