AG0006QF

102146-07-6 | 1H-Purine-2,6-dione, 8-cyclopentyl-3,9-dihydro-1,3-dipropyl-

AG0006QF

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CAS Number	102146-07-6
Catalog Number	AG0006QF(AGN-PC-09QIF9)
Chemical Name	1H-Purine-2,6-dione, 8-cyclopentyl-3,9-dihydro-1,3-dipropyl-
IUPAC Name	8-cyclopentyl-1,3-dipropyl-7H-purine-2,6-dione
InChI	InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
InChI Key	FFBDFADSZUINTG-UHFFFAOYSA-N
MDL Number	MFCD00055117
Molecular Formula	C16H24N4O2
Molecular Weight	304.3874
SMILES	O=C(N1CCC)N(CCC)C2=C(NC(C3CCCC3)=N2)C1=O
UNII	9PTP4FOI9E
Synonyms	1,3-dipropyl-8-cyclopentylxanthine, 1,3-DPCPX, 8-cyclopentyl-1,3-dipropylxanthine, 8-cyclopentyl-3,7-dihydro-1,3-dipropyl-1H-purin-2,6-dione, DPCPX, PD 116948, PD-116,948, 8-Cyclopentyl-1,3-dipropylxanthine, DPCPX, 102146-07-6, 8-cyclopentyl-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione, 1,3-Dpcpx, 1,3-dipropyl-8-cyclopentylxanthine, PD-116,948, PD-116948, GNF-PF-2224, UNII-9PTP4FOI9E, dipropylcyclopentylxanthine, 9PTP4FOI9E, CHEMBL183, MLS000069347, 8-Cyclopentyl-3,7-dihydro-1,3-dipropyl-1H-purin-2,6-dione, CHEBI:73282, 8-cyclopentyl-1,3-dipropyl-7H-purine-2,6-dione, 1,3-DIPROPYL-8-CYCLOPENTYLXANTHINE [DPCPX], SMR000058434, DPCPX, 1,3-Dipropyl-8-cyclopentylxanthine, 8-cyclopentyl-1,3-dipropyl-3,7-dihydro-1H-purine-2,6-dione, 1H-Purine-2,6-dione, 8-cyclopentyl-3,7-dihydro-1,3-dipropyl-, PD 116948, Spectrum_000271, Tocris-0439, Opera_ID_160, Lopac-C-101, Spectrum2_001808, Spectrum3_001073, Spectrum4_001228, Spectrum5_001887, [DPCPX], AC1L1B8K, Lopac0_000381, BSPBio_002686, GTPL386, KBioGR_001696, KBioSS_000751, MLS001076525, DivK1c_000177, SCHEMBL382422, SPECTRUM2300063, SPBio_001795, SCHEMBL1094807, SCHEMBL12648692, BCBcMAP01_000212, BDBM21173, CTK8B4471, HMS500I19, KBio1_000177, KBio2_000751, KBio2_003319, KBio2_005887, KBio3_001906, DTXSID50144706, OR9885T, FFBDFADSZUINTG-UHFFFAOYSA-N, NINDS_000177, HMS2235C14, HMS3261M03, HMS3266O21, HMS3369D05, HMS3675K21, ZINC3977757, ZX-AT022179, DPCPX; PD 116,948, Tox21_500381, ANW-45129, CCG-39732, MFCD00055117, PDSP1_000448, PDSP1_001208, PDSP2_000446, PDSP2_001192, AKOS015900114, AKOS024458134, CCG-221685, DB12946, EX-3308, LP00381, VZ31021, IDI1_000177, KS-0000186U, NCGC00015177-01, NCGC00015177-02, NCGC00015177-03, NCGC00015177-04, NCGC00015177-05, NCGC00015177-06, NCGC00015177-07, NCGC00015177-08, NCGC00015177-09, NCGC00015177-10, NCGC00015177-11, NCGC00023294-02, NCGC00023294-04, NCGC00023294-05, NCGC00023294-06, NCGC00023294-07, NCGC00261066-01, AJ-47554, AK-88727, CC-23366, PD116948, SC-91856, 8-Cyclopentyl-1,3-dipropylxanthine, solid, AX8008808, LS-126534, ST2406601, 8-Cyclopentyl-1,3-dipropylxanthine [DPCPX], B6305, EU-0100381, FT-0621530, X8593, A16104, C13709, C-18978, L000233, SR-01000003000, SR-01000075202, SR-01000003000-2, SR-01000075202-1, W-200660, BRD-K01824921-001-02-9, BRD-K01824921-001-10-2, I14-10012, 8-Cyclopentyl-1,3-dipropyl-1H-purine-2,6(3H,7H);-dione, 8-Cyclopentyl-3,7-dihydro-1,3-dipropyl-1H-purine-2,6-dione, 8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, [3H]DPCPX, D0K0OT, D0OW4Q, CID1329, C16H24N4O2, C16-H24-N4-O2, C-101, C051360, CPX,

Complexity	436
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	304.19g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	304.394g/mol
Monoisotopic Mass	304.19g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	69.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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