caffeine
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Caffeine (data page)
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Data
InChI: InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
Synonymes: Caffine,HB2846,BRD-K02404261-001-03-5,Cafeina,1,3,7-trimethyl-3,7-dihydropurine-2,6-dione,GTPL407,Coffein,Bayer Select Headache Pain (Salt/Mix),Kofein [Czech], Caffenium,Anacin Maximum Strength,WLN: T56 BN DN FNVNVJ B1 F1 H1,BIM-0050216.0001, Caffedrine, Cafecon,P-A-C Analgesic Tablets,MEGxp0_001350,HMS2232M13, Percutafeine,Kofein,Mateina,BSPBio_001921,Caffeine 10 microg/mL in Methanol,MLS001056714,CAFFEINE [FCC], Dexitac,Caffeine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material, Coffeinum,CAFFEINE COMPONENT OF FIORICET,BDBM10849,Phensal, 1,3,7-Trimethylxanthine,Respia (TN), P-A-C Analgesic Tablets,teina,AB00051930-09,Miudol,KBio1_000730,Caffeine, SAJ special grade, >=98.5%, Vivarin,Caffedrine,Probes1_000150, Propoxyphene Compound 65,NCGC00259234-01,Coffeinum,Caffeine, British Pharmacopoeia (BP) Reference Standard,Caffein,THEOPHYLLINE IMPURITY A [EP IMPURITY], Republic Drug Brand of Caffeine, TNP00310, Teina,Z112207564,Bio1_000962,Cafeine,Xanthine, 1,3,7-trimethyl,CAS-58-08-2, Caffine,Cafamil,CFF,NORGESIC COMPONENT CAFFEINE,C07481,TNP00310,SMR000326667,NCGC00090699-09,Caffeine,DSSTox_RID_75448,SYNALGOS-DC-A COMPONENT CAFFEINE, 1-methyltheobromine, Xanthine, 1,3,7-trimethyl,Propoxyphene Compound 65 (Salt/Mix),1,3,7-Trimethylpurine-2,6-dione,CAFFEINE COMPONENT OF INVAGESIC FORTE,C8H10N4O2,Melting point standard 235-237C, analytical standard,CAFFEINE COMPONENT OF ORPHENGESIC FORTE, Hycomine Compound,CAFFEINE [MI],CAFFEINE COMPONENT OF INVAGESIC,Guaranine,PDSP1_001016,EC 200-362-1,3g6m,CAFFEINE COMPONENT OF DHC PLUS,CCRIS 1314, Caffeine solution,NCGC00015208-15,5-26-13-00558 (Beilstein Handbook Reference),Caffeine, Pharmaceutical Secondary Standard; Certified Reference Material, Coffein [German],DSSTox_GSID_20232,SCHEMBL5671, Anacin Maximum Strength,NCGC00168808-02, Theophylline, 7-methyl,ANOQUAN COMPONENT CAFFEINE,CAFFEINE [INCI],Tox21_500228,Caffeine, PharmaGrade, EP, Manufactured under appropriate GMP controls for pharma or biopharmaceutical production,1,3,7-Trimethylxanthine,KBio2_004349,BIDD:GT0632,MFCD00005758, Caffeine (natural),CAFFEINE [FHFI],CAFFEINUM [HPUS],PDSP1_001235,Vivarin,PENTOXIFYLLINE IMPURITY F [EP IMPURITY],1l5q,F3371-0262,1,3,7-Trimethylxantine,NCGC00015208-03, Caffeine, anhydrous, Anhydrous caffeine (JP15),Refresh'n,caffenium,Durvitan, Natural Caffeinum,Theophylline Me,Caffeine, BioXtra, Miudol,Dexitac,1, 3, 7-Trimethylxanthine,1,3,7-trimethyl-1,3,7-trihydropurine-2,6-dione, Cafeine, Coffeine,Coffein [German],BRD-K02404261-001-07-6, Caffein,1-methyltheobromine,NCGC00090699-08,component of Percodan (Salt/Mix),ACon1_000085,NCGC00015208-07,KBio2_006917,Tox21_300010,Bio1_000473,BIDD:PXR0172,TRIAD COMPONENT CAFFEINE,C 0750,KBioGR_002325,SR-01000075187-8,Nodaca, Dexitac Stay Alert Stimulant, Component of Cafergot,CAFFEINE COMPONENT OF MEDIGESIC PLUS,CAFFEINE COMPONENT OF DARVON COMPOUND,3,7-dihydro-1,3,7-trimethyl-1H-purine,HMS2091O11,SK-65 Compound,CAFFEINE [II],DARVON COMPOUND COMPONENT CAFFEINE,CAFERGOT COMPONENT CAFFEINE,Caffeine, meets USP testing specifications, anhydrous,ANHYDROUS CAFFEINE [JAN],NCGC00015208-08,MolMap_000054, Hycomine,Caffeine 1.0 mg/ml in Methanol, Methyltheobromine,SK 65 Compound, Passauer Brand of Caffeine,Lopac-C-0750,FIORINAL COMPONENT CAFFEINE,Cafergot (Salt/Mix),SPBio_001222,DTXSID0020232,CAFFEINE COMPONENT OF TRIAD, Tirend,Caffeine, Sigma Reference Standard, vial of 250 mg, Mateina, Phensal,N2379,PMID28870136-Compound-52,95789-13-2,AS-15340,bmse000206,Caffeine, certified reference material, TraceCERT(R),EINECS 200-362-1,NCGC00090699-01, C 0750,Spectrum5_000423,Methyltheobromin,NCI-C02733,FEMA No. 2224,Tirend,component of Dilone (Salt/Mix),Spectrum3_000321,DIMENHYDRINATE IMPURITY C, SK-65 Compound,07E4FB58-FD79-4175-8E3D-05BF96954522,1,3,7-Trimethyl-3,7-dihydro-1H-purine-2,6-dione,DTXCID40232, CU-01000012617-3,CAFFEINE [MART.],Monohydrate Caffeine,HMS502E12,DSSTox_CID_232, Coffein, SK 65 Compound,5-26-13-00558 (Beilstein),Caffeine, European Pharmacopoeia (EP) Reference Standard,Anhydrous caffeine,CAFFEINE(3-METHYL-13C),BIDD:ER0554, Methylxanthine theophylline,NCGC00090699-03,SYNALGOS-DC COMPONENT CAFFEINE, Pep-Back, Nodoz Maximum Strength Caplets,2a3b,NCGC00015208-20,Caffeine Melting Point Standard, Pharmaceutical Secondary Standard; Certified Reference Material,Lopac0_000228,NSC-755917,Cafecon,HMS3715D13,CAFFEINE [WHO-DD],SR-01000075187-4, Propoxyphene Compound-65,7-Methyltheophylline,NCGC00090699-06, Eldiatric C,NCGC00015208-12, Caffeina [Italian], Caffeine Pure,NCGC00260913-01,CAFFEINE [EP MONOGRAPH], Enerjets, Merck dura Brand of Caffeine,MIGERGOT COMPONENT CAFFEINE,Theine,HMS1920I09,A.S.A. and Codeine Compound,1,3,7-trimethyl-2,6-dioxo-1,2,3,6-tetrahydropurine,LP00228,DHCplus, 1-3-7-TRIMETHYLXANTHINE,NSC5036,SR-01000075187-1, Wake-Up, 1,3,7-Trimethylpurine-2,6-dione,114303-55-8, Thein,Caffeine, United States Pharmacopeia (USP) Reference Standard,CAFFEINE [VANDF],NCGC00090699-02,1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-,coffee,CAFFEINE COMPONENT OF NORGESIC,Caffeine [USP:BAN:JAN],SR-01000075187-7,HMS3260N17,MLS001066409, Koffein,Caffeine (USP),NCGC00015208-06,Stim, Monomethyl derivative of Theophylline,COFFEINUM [WHO-IP LATIN],1gfz,EXCEDRIN COMPONENT CAFFEINE,CAFFEINE COMPONENT OF FEMCET,PDSP2_001000,BRN 0017705, Coffeinum N,3,7-dihydro-1,3,7-trimethyl-1H-purine (9CI), Guaranine,CU-01000012617-3,Theine, methyltheobromine,7-methyl Theophylline,Alert-pep, DHC Plus, Kofein,Hycomine, Cafipel, Caffeine (USP),Caffeine [BAN:JAN],FT-0664195,CAFFEINE COMPONENT OF MIGERGOT, Theobromine Me, Ercatab, Dasin, Midol Maximum Strength,NoDoz Caplets and Chewable Tablets,C2042,BRD-K02404261-001-02-7,Tox21_201685,Coffeine,component of P-A-C Compound (Salt/Mix),LANORINAL COMPONENT CAFFEINE,ESGIC COMPONENT CAFFEINE,1,3,7-Trimethyl-3,7-dihydro-1H-purine-2,6-dione #,INVAGESIC FORTE COMPONENT CAFFEINE,Caffeine hydrous,NSC-5036,Caffeinum, Berlin-Chemie Brand of Caffeine, Keep Alert,3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion (coffein),Anacin,Methylxanthine theophylline,Eldiatric C,58-08-2,Caffeine solution, analytical standard, 1.0 mg/mL in methanol,CHEBI:27732,1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione,CAFFEINE COMPONENT OF SYNALGOS-DC,STK177283,AKOS000121334, Quick-Pep,CAFFEINE COMPONENT OF EXCEDRIN,KBioSS_001781, Anhydrous caffeine (TN),Caffeine melting point standard, United States Pharmacopeia (USP) Reference Standard,Koffein [German],N1379,NCGC00015208-01,1,7-Trimethylxanthine,AB00051930_10,SBI-0050216.P004,NCIOpen2_008255,NCGC00015208-11,3,3,7-trimethyl-1H-purine-2,6-dione,Caffeine, purum, anhydrous, >=99.0% (HPLC),CHEMBL113, Seid Brand of Caffeine,NCGC00015208-18,Theobromine Me,Caffeina,Probes2_000128,caffeine (1,3,7-trimethylxanthine),3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion,Quick-Pep, Diurex,Caffeine, powder, ReagentPlus(R),CAFFEINE COMPONENT OF ESGIC,NCGC00015208-17, Refresh'n, Tri-Aqua,ORPHENGESIC FORTE COMPONENT CAFFEINE,Caffeina [Italian],CAFFEINE [ORANGE BOOK], Alert-pep,Caffeine for system suitability, European Pharmacopoeia (EP) Reference Standard, GlaxoSmithKline Brand of Caffeine,NCGC00015208-14,INVAGESIC COMPONENT CAFFEINE,1,7-Trimethyl-2,6-dioxopurine,CS-M0795,NINDS_000730,Anhydrous caffeine (TN),FIORICET COMPONENT CAFFEINE,NCGC00015208-16,Cafipel,THEOPHYLLINE MONOHYDRATE IMPURITY A [EP IMPURITY], Caffedrine Caplets,NCGC00090699-04, Durvitan,NCGC00015208-02,Mettler-Toledo Calibration substance ME 18872, Caffeine, analytical standard, for the calibration of the thermosystem 900, traceable to primary standards (LGC),Caffeine (natural),CCG-38825,CAFFEINE [WHO-IP], DHCplus,component of A.S.A. Compound (Salt/Mix),Propoxyphene Compound 65,NCGC00168808-01,Monomethyl derivative of Theophylline, Stim,TREZIX COMPONENT CAFFEINE,NCGC00254057-01, No Doz,NCGC00015208-05,UNII-3G6A5W338E,Thein,CAFFEINE COMPONENT OF CAFERGOT,IDI1_000730,CAFFEINE COMPONENT OF LANORINAL,DB-023002,Bio1_001451,CAFFEINE [IARC],1l7x, Cafeina,ORPHENGESIC COMPONENT CAFFEINE,Spectrum4_001782, Bristol-Myers Squibb Brand of Caffeine, Organex,Caffeine, anhydrous,Synalgos, Caffeine [BAN:JAN],202282-98-2, Anhydrous caffeine,NCGC00015208-13,Nix Nap,MLS001055341,AC-12774,Methyltheobromine, Nix Nap,NSC755917, Caffeine, synthetic, Kofein [Czech],1,3,7-Trimethyl-2,6-dioxopurine,caffeine,Caffeine, synthetic, Cafcit (TN),CAFFEINE [USP MONOGRAPH],D00528, Coffeinum Purrum, 3,7-dihydro-1,3,7-trimethyl-1H-purine, Theophylline Me,MEDIGESIC PLUS COMPONENT CAFFEINE,KBio3_001141,Caffeine melting point standard,SPECTRUM1500155,CAFFEINE COMPONENT OF FIORINAL,3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione,WIGRAINE COMPONENT CAFFEINE,Caffeine, anhydrous, tested according to Ph.Eur.,Theobromine, 1-methyl-,AI3-20154,Tri-Aqua,HMS3435F10,KBio2_001781,ZINC1084,Q60235,Pharmakon1600-01500155, No-Doz, Cafamil,CAFFEINE COMPONENT OF ANOQUAN,CAFFEINE [HSDB],Organex,CAFFEINE COMPONENT OF ORPHENGESIC,Koffein,Spectrum2_001261,3G6A5W338E,CAFFEINE ANHYDROUS,CAFFEINE-D3,SR-01000075187,FEMCET COMPONENT CAFFEINE,NCGC00015208-10,Anhydrous caffeine (JP15),NCGC00090699-07,NCGC00015208-29,EN300-21663, Percoffedrinol N,Xanthine,3,7-trimethyl,DivK1c_000730,cafeine,SDCCGMLS-0064595.P001,DIMENHYDRINATE IMPURITY C [EP IMPURITY], Caffeine, Monohydrate,DHC PLUS COMPONENT CAFFEINE,Z104507896,Caffeine, anhydrous, 99%, FCC, FG,DB00201,Anhydrous caffeine (JP17), Pierre Fabre Brand of Caffeine,Methyltheobromide,CAFFEINE COMPONENT OF WIGRAINE, 7-Methyltheophylline,EU-0100228, Caffeina,CAFFEINE COMPONENT OF SYNALGOS-DC-A,HMS3372J18,1-methyl-Theobromine,Caffeine 100 microg/mL in Methanol,1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, Thompson Brand 1 of Caffeine, Koffein [German],No-Doz,NSC 5036, Methyltheobromide, Theine,PDSP2_001219,Caffeine 2000 microg/mL in Water:Methanol (81:19 g/g),NCGC00015208-04,HSDB 36,SDCCGMLS-0064595.P002,1H-Purine-2, 3,7-dihydro-1,3,7-trimethyl-,CAFFEINE [USP-RS],NCGC00090699-05,Theophylline, 7-methyl, Thompson Brand 2 of Caffeine, 1,3,7-Trimethyl-2,6-dioxopurine, Nodaca,L000155,CAFFEINE ANHYDROUS [WHO-IP],Spectrum_001301, Quick Pep, Ultra Pep-Back,SDCCGSBI-0050216.P005
Estimated data
Solubility: -1.132 (log(S) in mol/L prediction using SolTranNet)
Addictivity Prediction: 57.8% (prediction based on www.mdpi.com)
