AG0036KL

69-89-6 | 2,3,6,9-tetrahydro-1H-purine-2,6-dione

AG0036KL

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CAS Number	69-89-6
Catalog Number	AG0036KL(AGN-PC-0A27CU)
Chemical Name	2,3,6,9-tetrahydro-1H-purine-2,6-dione
EC Number	200-718-6
IUPAC Name	3,7-dihydropurine-2,6-dione
InChI	InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
InChI Key	LRFVTYWOQMYALW-UHFFFAOYSA-N
MDL Number	MFCD00078453
Molecular Formula	C5H4N4O2
Molecular Weight	152.1109
NSC Number	14664
SMILES	O=C(N1)NC2=C(NC=N2)C1=O
UNII	1AVZ07U9S7
Synonyms	Xanthine, xanthine, 69-89-6, 2,6-Dihydroxypurine, Isoxanthine, Xanthin, 2,6-dioxopurine, Pseudoxanthine, Xanthic oxide, 1H-Purine-2,6(3H,7H)-dione, 1H-Purine-2,6-diol, 9H-Purine-2,6-diol, Purine-2,6-diol, 3,7-Dihydro-1H-purine-2,6-dione, 2,6(1,3)-Purinedion, 1H-Purine-2,6-dione, 3,7-dihydro-, 3,7-dihydropurine-2,6-dione, USAF CB-17, XAN, Purine-2(3H),6(1H)-dione, 2,6-Dioxo-1,2,3,6-tetrahydropurine, 3,9-dihydro-1H-purine-2,6-dione, 9H-Purine-2,6-(1H,3H)-dione, 1H-Purine-2,6-dione, 3,9-dihydro-, Purine-2,6-(1H,3H)-dione, 9H-xanthine, UNII-1AVZ07U9S7, NSC 14664, CCRIS 994, EPA Pesticide Chemical Code 116900, Xanthine, 98%, CHEBI:17712, AI3-52268, EINECS 200-718-6, MFCD00078453, Xanthine (VAN) (8CI), CHEMBL1424, 1AVZ07U9S7, Purine-2,6(1H,3H)-dione, 2,3,6,9-tetrahydro-1H-purine-2,6-dione, xanthine (2,6-dihydroxypurine), LRFVTYWOQMYALW-UHFFFAOYSA-N, 9H-Purine-2,6(1H,3H)-dione, 1,3-dihydropurine-2,6-dione, 1H-purine-2,6(3H,9H)-dione, Dioxopurine, Dioxypurin, 7H-xanthine, 3H-Purine-2,6-diol (9CI), 7H-Purine-2,6-diol (9CI), 2-Oxohypoxanthine, 2,6-dioxypurine, Xanthine (VAN), Xanthine,(S), 2,6-Dihydroxypurin, 2-6-dihydroxypurine, PubChem9186, Purine-2,3H)-dione, Xanthine, >=99%, 2uz9, AC1L1AWZ, 2H-Purin-2-one, 1,3-dihydro-6-hydroxy-, 2H-Purin-2-one, 3,9-dihydro-6-hydroxy-, 6H-Purin-6-one, 1,9-dihydro-2-hydroxy-, ACMC-209vj5, bmse000127, MolMap_000070, Xanthine, p.a., 99%, 9H-Purine-2,3H)-dione, AC1Q2AP8, Cambridge id 5126190, SCHEMBL4965, 2,2,3,6-tetrahydropurine, Oprea1_474175, 2H-Purin-2-one, 3,7-dihydro-6-hydroxy- (9CI), KSC353G8R, Xanthine, BioUltra, >=99%, 3,9-dihydropurine-2,6-dione, ARONIS008606, GTPL4557, DTXSID4035120, 3,7-dihydro-purine-2,6-dione, 3,9-Dihydro-purine-2,6-dione, BDBM82009, CHEBI:48517, CTK1G3698, CTK2F3388, KS-00000NMZ, LRFVTYWOQMYALW-UHFFFAOYSA-, HMS1659G11, HMS3604G12, BCP15189, CAS_1188, KS-000040EQ, NSC_1188, NSC14664, 1H-purine-2,6(3H, 7H)-dione, AN-784, ANW-35790, ANW-45135, BBL028159, BDBM50227193, NSC-14664, SBB004054, STL064827, STL453051, ZINC13517187, AKOS000498219, AKOS005208756, AKOS015896921, AC-8422, AM83905, CS-W018105, DB02134, FS-3231, HY-W017389, MCULE-6687728468, SDCCGMLS-0065805.P001, 2,6-Dioxo-1,2,3, 6-tetrahydropurine, NCGC00164338-01, 173793-02-7, 173793-03-8, 173793-05-0, 173793-06-1, 173793-08-3, 51953-16-3, 51953-25-4, 51953-27-6, AJ-64024, AK-73122, BR-73122, CJ-14408, K177, SY030113, AB0014073, LS-162511, 2,3,6,7-tetrahydro-1H-purine-2,6-dione, FT-0631300, ST45045352, MFCD00078453 (98%), 7117-EP2269989A1, 7117-EP2272832A1, 7117-EP2272835A1, 7117-EP2272844A1, 7117-EP2272848A1, 7117-EP2292227A2, 7117-EP2295406A1, 7117-EP2295434A2, 7117-EP2295435A1, 7117-EP2298312A1, 7117-EP2298769A1, 7117-EP2298772A1, 7117-EP2301937A1, 7117-EP2305684A1, 7117-EP2308562A2, 7117-EP2308839A1, 7117-EP2308878A2, 7117-EP2311806A2, 7117-EP2311832A1, 7117-EP2311833A1, 7117-EP2316974A1, C00385, M-3938, X-0950, AB00171825-02, 108079-EP2287164A1, 108079-EP2298769A1, A836687, 6H-Purin-6-one, 1,7-dihydro-2-hydroxy- (9CI), I07-0041, I14-22477, Z57825360, 92AB342E-6550-4B2B-AD76-E75AC1C2EB45, Xanthine, >=99.5% (HPLC), purified by recrystallization, 51953-26-5, InChI=1/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11), Purine analog, D0M3IN, C5H4N4O2, 2,6(1H,3H)-purinedione, purin-2(3H),6(1H)-dion, 1H-Purine-2, 3,7-dihydro-, CID1188, C5-H4-N4-O2, Xanthine 98% for biochemistry 5gm, 3,4-dihydro-1H-purine-2,6-dione, AR-1L8237, c1099, ZINC04261793, ACN-028527, X0004, D019820, 70805-82-2,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	152.033g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	152.113g/mol
Monoisotopic Mass	152.033g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	86.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number