theobromine
Vérifier sur tripsit
Theobromine
Vérifier sur pubchem
Theobromine
Vérifier sur drugmap
Theobromine
Vérifier sur drugmap
Theobromine
Vérifier sur wiki
Data
InChI: InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)
Synonymes: 83-67-0,NCGC00024123-06,1H-purine-2,6-dione,3,7-dihydro-3,7- dimethyl- (9CI),PDSP2_001001,Teobromina,NSC5039,AB00052141_12,SR-01000000069-2, Theobromin,37T,Theobromine [INN:BAN:NF],FT-0660435,HMS1570P09,EU-0101187,Spectrum5_001387,5-26-13-00553 (Beilstein),SR-01000000069-7,3,3.7-Dimethylxanthin,THEOBROMINE [VANDF],Theobromine solution, 100 mug/mL in methanol, ampule of 1 mL, certified reference material,5-26-13-00553 (Beilstein Handbook Reference),Xantheose,NCGC00016023-03,3,7-dimethyl-1,3,7-trihydropurine-2,6-dione, 3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione,3,7-dimethylpurine-2,6-dione,NCGC00016023-04,s2368,KBio1_000611,NCGC00024123-05,THEOBROMINE [MI], CCRIS 2350,KBio2_000433,BRD-K34888156-001-08-8,NCGC00016023-18,CEC63CCA-3B4B-4F4F-92C1-1789DF3C880A,Theostene,NCGC00179030-01,THEOBROMINE [HSDB],SY048379,DSSTox_RID_78030,Spectrum_000053,BSPBio_000947,SPECTRUM1500649,AKOS000121558,CAS-83-67-0,NCGC00016023-09,NCGC00179030-02,BPBio1_001043,THEOBROMINE [EP IMPURITY],1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-,T 4500,SR-01000000069-9,DTXSID9026132,3,7-Dimethylpurine-2,6-dione,3,7-Dimethylxanthine,Santheose,KBioSS_000433,Tox21_300016,NCGC00016023-17,AC-34381, 2,6-Dihydroxy-3,7-dimethylpurine,Theobrominum,Thesal, HSDB 7332,Tox21_501187,1H-Purine-2, 3,7-dihydro-3,7-dimethyl-,7-Dimethylxanthine,SC 15090,BSPBio_001758,NCGC00016023-05,Lopac0_001187,Theosalvose, Theobromine (natural), 3,7-dimethylpurine-2,6-dione,DSSTox_CID_6132,OBD445WZ5P,Thesodate,SMR000058357,SR-01000000069,HMS3263N15,Q-100848,theobromine,BDBM50014260, Teobromin,EINECS 201-494-2,N1573,SR-01000000069-10,Prestwick3_000874,CHEMBL1114,Prestwick_1054,AC-11381,3,7-dimethyl-1H-purine-2,6-dione, Theostene,THEOBROMINE [MART.],IDI1_000611, 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-,NSC 5039,Prestwick0_000874,SDCCGMLS-0002875.P003,DivK1c_000611,SBI-0051154.P003,CAFFEINE MONOHYDRATE IMPURITY D [EP IMPURITY],Theobromine, analytical standard,CHEBI:28946,2,6-Dihydroxy-3,7-dimethylpurine,UNII-OBD445WZ5P, Xanthine, 3,7-dimethyl-,NINDS_000611,Prestwick1_000874,DSSTox_GSID_26132,THEOBROMINUM [HPUS],THEOBROMINE [FHFI],HY-N0138,NCGC00016023-02,NCGC00024123-07, SC 15090,7-Dimethylxanthin,519-41-5,KBioGR_000666,Theobromine (natural),SC-15090,PMID28870136-Compound-50, 3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione,KBio2_005569, UNII-OBD445WZ5P,SPBio_001049,FEMA No. 3591,3,7-dimethylxanthin, Thesodate,HMS2097P09,HMS2092G04,Cocoa Theobromine,HMS3714P09,D71206, Diurobromine,AB00052141, Thesal,HSDB 7332,3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione #,CS-7972,Z56347209,EN300-16609,NCGC00016023-14, Theosalvose,NCGC00016023-07,THEOBROMINE [WHO-DD],Tox21_110284_1,HMS1921O13,NCGC00024123-04,Teobromin,Q206844,Theobromine, Pharmaceutical Secondary Standard; Certified Reference Material,NCGC00016023-12,AS-13904,Theobromine;,MLS000028407,NCGC00261872-01,3,7-DIMETHYLXANTHINE; 3,7-DIMETHYLPURINE-2,6-DIONE,NCGC00016023-08,NCGC00016023-01, FEMA No. 3591,HMS501O13,MFCD00022830,Xanthine, 3,7-dimethyl-,NCGC00016023-11,SDCCGSBI-0051154.P004,NCGC00024123-03,Tox21_110284,C07480,PENTOXIFYLLINE IMPURITY A [EP IMPURITY],Spectrum4_000403,Theobromine(20%),Pharmakon1600-01500649, BRN 0016464,YAPQBXQYLJRXSA-UHFFFAOYSA-, 3,7-Dimethylxanthine,CCG-40078,Prestwick2_000874,Theobromine,3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione,KBio3_001258,NSC757407,SPBio_002868,3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione, Santheose,STL419465,SR-01000000069-8, NSC 5039,3,7-Dimethyl-1H-purine-2,6(3H,7H)-dione,BRN 0016464,DB01412,Spectrum2_000985, 83-67-0,NCGC00253943-01,Diurobromine,3, 7-Dimethylxanthine,3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione,NCGC00016023-15,NCGC00024123-08,NCGC00016023-10,NSC-5039,NCGC00016023-26,WLN: T56 BN DN FNVMVJ B1 F1,BBL034679,Theobromine 0.1 mg/ml in Methanol,Theobromin,T0178,THEOBROMINE [INCI],FT-0675138, 2,6-Dihydroxy-3,7-dimethyl-purine,Lopac-T-4500,Spectrum3_000279,KBio2_003001,CCRIS 2350,LP01187,NCGC00016023-06, 7-Dimethylxanthine,Theobromine, >=98.0% (HPLC),PDSP1_001017,2,6-Dihydroxy-3,7-dimethyl-purine,SR-01000000069-4,SCHEMBL3184,ZINC2151,NCGC00016023-13,NSC-757407,THEOBROMINE [IARC],Theobromine, European Pharmacopoeia (EP) Reference Standard,Theobromine (3,7-Dimethylxanthine),Theobromine, >=98.0%
Estimated data
Solubility: -1.34 (log(S) in mol/L prediction using SolTranNet)
Addictivity Prediction: 34.8% (prediction based on www.mdpi.com)
