AG002WN3

28822-58-4 | 1H-Purine-2,6-dione, 3,9-dihydro-1-methyl-3-(2-methylpropyl)-

AG002WN3

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CAS Number	28822-58-4
Catalog Number	AG002WN3(AGN-PC-0JK6NI)
Chemical Name	1H-Purine-2,6-dione, 3,9-dihydro-1-methyl-3-(2-methylpropyl)-
EC Number	249-259-3
IUPAC Name	1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
InChI	InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
InChI Key	APIXJSLKIYYUKG-UHFFFAOYSA-N
MDL Number	MFCD00005584
Molecular Formula	C10H14N4O2
Molecular Weight	222.2438
NSC Number	165960
SMILES	O=C(N1C)N(CC(C)C)C2=C(NC=N2)C1=O
UNII	TBT296U68M
Synonyms	1 Methyl 3 isobutylxanthine, 1-Methyl-3-isobutylxanthine, 3 Isobutyl 1 methylxanthine, 3-Isobutyl-1-methylxanthine, IBMX, Isobutyltheophylline, 3-Isobutyl-1-methylxanthine, IBMX, 28822-58-4, isobutylmethylxanthine, 1-METHYL-3-ISOBUTYLXANTHINE, Methylisobutylxanthine, 3-Isobutyl-1-methyl-1H-purine-2,6(3H,7H)-dione, Xanthine, 3-isobutyl-1-methyl-, 3-Isobutyl-1-methyxanthine, 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3-(2-methylpropyl)-, Methyl-isobutylxanthine, 3-isobutyl-1-methylxanthine (ibmx), 3-Isobutyl 1-methylxanthine, UNII-TBT296U68M, NSC 165960, CCRIS 4290, 1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione, CHEBI:34795, 3-isobutyl-1-methyl-7H-xanthine, 3-Isobutyl-1-methyl-3,7-dihydro-1H-purine-2,6-dione, 3-isobutyl-1-methyl-3,9-dihydro-1H-purine-2,6-dione, 2-Acetoxy-Benzoic Acid, 3-Isobutyl-Methylxanthine, EINECS 249-259-3, MFCD00005584, NSC165960, CHEMBL275084, TBT296U68M, 1-methyl-3-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione, APIXJSLKIYYUKG-UHFFFAOYSA-N, 3,7-Dihydro-3-isobutyl-1-methyl-1H-purine-2,6-dione, 1-methyl-3-(2-methylpropyl)-3,9-dihydro-1H-purine-2,6-dione, J-640140, 1-methyl-3-(2-methylpropyl)-1,3,7-trihydropurine-2,6-dione, 1H-purine-2,6-dione, 3,9-dihydro-1-methyl-3-(2-methylpropyl)-, 3,7-Dihydro-1-methyl-3-(2-methylpropyl)-1H-purine-2,6-dione, 3-Isobutyl-1-methylxanthine, 99+%, Isobutyltheophylline, IMX, SMR000326697, SR-01000075185, 3 Isobutyl 1 methylxanthine, 1zkl, 1zkn, 3ecn, 3itu, 3jwr, 2hd1, 2r8q, 3qi4, AC1L1GNB, Spectrum2_001705, Spectrum2_001735, Spectrum3_001958, Spectrum4_001052, Spectrum5_001856, Lopac-I-5879, MolMap_000030, AC1Q1PM4, Lopac0_000642, Oprea1_135287, Oprea1_228781, SCHEMBL50315, 3-isobutyl-1-methylxantliine, BSPBio_001153, BSPBio_003558, GTPL388, KBioGR_000493, KBioGR_001344, KBioGR_002566, KBioSS_000493, KBioSS_002575, 1-methyl-3-isobutyl-xanthine, MLS001056732, MLS001066424, 3-Isobutyl-1-methyl-xanthine, DivK1c_000922, SPECTRUM1505298, SPECTRUM2300204, SPBio_001690, SPBio_001810, DTXSID0040549, BCBcMAP01_000110, BDBM15336, CHEBI:43253, CTK3J1633, HMS502O04, KBio1_000922, KBio2_000493, KBio2_002566, KBio2_003061, KBio2_005134, KBio2_005629, KBio2_007702, KBio3_000905, KBio3_000906, KBio3_002878, KBio3_003044, KS-00001CXM, 3-isobutyl-1-methyl-9H-xanthine, cMAP_000087, NINDS_000922, Bio1_000456, Bio1_000945, Bio1_001434, Bio2_000407, Bio2_000887, HMS1362I15, HMS1792I15, HMS1990I15, HMS2090J10, HMS2231C11, HMS3262A05, HMS3369E16, HMS3403I15, HMS3604D14, HMS3648O18, ALBB-024315, ZINC3861807, Tox21_500642, 3-ISOBUTHYL-1-METHYLXANTHINE, ANW-54495, BDBM50027176, BS0316, CCG-39513, CCG-39624, GL2425, HSCI1_000261, IN1293, PDSP1_000324, PDSP2_000322, SC2964, STL558248, AKOS003390599, AKOS015903085, CS-3361, DB07954, LP00642, MCULE-3854999514, NSC-165960, SC 2964, VZ21530, IDI1_000922, IDI1_002162, NCGC00015559-01, NCGC00015559-02, NCGC00015559-03, NCGC00015559-04, NCGC00015559-05, NCGC00015559-06, NCGC00015559-07, NCGC00015559-08, NCGC00015559-09, NCGC00015559-10, NCGC00015559-11, NCGC00094009-01, NCGC00094009-02, NCGC00094009-03, NCGC00094009-04, NCGC00094009-05, NCGC00094009-06, NCGC00261327-01, Xanthine, 1-methyl-3-(2-methylpropyl), AJ-46242, AK-84450, BC219667, HY-12318, SC-84962, ST055758, IBMX(NSC165960; SC2964), 3-isobutyl-1-methyl-7H-purine-2,6-dione, AX8087568, DB-047466, LS-162537, [Eur J Pharmacol 170: 35 (1989)], B7206, EU-0100642, FT-0615920, R4973, WLN: T56 BM DN FNVNVJ F1Y1&1 H1, 3-Isobutyl-1-methyl-2,6(1H,3H)-purinedione, C13708, I 5879, 3-Isobutyl-1-methylxanthine, BioUltra, >=99%, 822I584, L001156, J-800144, SR-01000075185-1, SR-01000075185-6, 3-Isobutyl-1-methylxanthine, >=99% (HPLC), powder, BRD-K94979336-001-06-9, BRD-K94979336-001-09-3, I14-18716, 1H-Purine-2, 3,7-dihydro-1-methyl-3-(2-methylpropyl)-, 1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 5,6-dihydrouracil, D03ADX, D0GY2T, D0R6MT, 1 Methyl 3 isobutylxanthine, N-(4-Vinylphenyl)maleinimide, C10H14N4O2, CID3758, C10-H14-N4-O2, 3-Isobutyl-1-methylxanthine, 99% - 1G 1g, D015056, 3-Isobutyl-1-methyl-3,7-dihydro-purine-2,6-dione, 3-Isobutyl-1-methyl-3,9-dihydro-purine-2,6-dione, IBM,

Complexity	318
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.112g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	222.248g/mol
Monoisotopic Mass	222.112g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	69.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number