Caffeine (1,3,7-trimethylxanthine)

Test Ligands Values Explained

Test Ligand ID - A unique identifier for the test ligand
Ligand Name - Name of the test ligand

Test Ligand ID2535
Ligand NameCaffeine (1,3,7-trimethylxanthine)
PubMed Compound Id2519
StructureProduct Image
Molecular FormulaC8H10N4O2
Molecular Weight194.19
SMILESCN1C=NC2=C1C(=O)N(C(=O)N2C)C
Synonymscaffeine
58-08-2
Guaranine
1,3,7-Trimethylxanthine
Methyltheobromine
Theine
Thein
Cafeina
Koffein
Mateina
Alert-pep
Caffein
Cafipel
Coffeine
Refresh'n
Caffedrine
Vivarin
Stim
Anhydrous caffeine
Cafamil
Cafecon
Caffine
Dexitac
Nodaca
No-Doz
Eldiatric C
Durvitan
Hycomine
Organex
7-Methyltheophylline
Nix Nap
Methyltheobromide
Coffeinum
Coffein
3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
Tirend
1,3,7-Trimethylpurine-2,6-dione
1,3,7-Trimethyl-2,6-dioxopurine
Tri-Aqua
Kofein
Caffeine, anhydrous
1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-
1-methyltheobromine
Methylxanthine theophylline
teina
Caffeina
NCI-C02733
1,3,7-Trimethyl-3,7-dihydro-1H-purine-2,6-dione
1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAFFEINE ANHYDROUS
FEMA No. 2224
cafeine
Caffeinum
DTXSID0020232
NSC-5036
Caffeine melting point standard
1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione
CHEBI:27732
3G6A5W338E
DTXCID40232
TREZIX COMPONENT CAFFEINE
NSC5036
NoDoz Caplets and Chewable Tablets
5-26-13-00558 (Beilstein Handbook Reference)
Quick Pep
3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion
QuickPep
NODOZ
Zanthine
Awake
NoSnooze
Allertness Aid
Diurex Ultimate
trimethylxanthine
Uplift Chewable
Alertness Aid
Diurex Ultra
Yeast-vite
Caffeine,
Conrx Alert
Pro-plus
Sprayable Energy
Stay Awake
Alert Aid
Hair Care
Nano Ppc
Caffeine 200mg
Diurex Water Pills
Topcare Stay Awake
Alert Alertness Aid
NoDoz Alertness Aid
Sohmed Alertness Aid
357 Super Magnum
Caffeine 1508
Awake Maximum Strength
RefChem:6623
Diurex Water Pills XPL
Caffeine 200 mg Tablets
Jet Alert Double Strength
Jet Alert Regular Strength
Caffeine Tablets, 200 mg
Stay Awake Maximum Strength
Caffeine tablet, film-coated
CHEBI:27134
Topcare Stay Awake Maximum Strength
GROWTH Hair Serum Serum Capillaire
NoDoz Alertness Aid Maximum Strength
Valumeds Maximum Strength Stay Awake
FEELSHION 6% Caffeine 1% Retinol Eye Cream
200-362-1
619-173-4
BIOTIN; CITRUS AURANTIUM BERGAMIA (BERGAMOT) FRUIT OIL; CITRUS TANGERINA (TANGERINE) FRUIT; CURCUMA LONGA (TURMERIC) ROOT; LEMON; LYSYLTHREONYLTHREONYLLYSYLSERINE; NICOTIANA BENTHAMIANA WHOLE; TOBACCO LEAF; TRIFOLIUM PRATENSE LEAF
Phensal
Caffeine, synthetic
Quick-Pep
Synalgos
Wigraine
Theophylline, 7-methyl
DHCplus
Miudol
Theobromine, 1-methyl-
Propoxyphene Compound 65
Kofein [Czech]
Coffein [German]
Koffein [German]
Caffeine (natural)
Xanthine, 1,3,7-trimethyl
Caffeina [Italian]
Theophylline Me
Theobromine Me
SK-65 Compound
Lanorinal
Anacin
Anacin Maximum Strength
P-A-C Analgesic Tablets
HSDB 36
BRN 0017705
NSC 5036
MFCD00005758
A.S.A. and Codeine Compound
AI3-20154
CHEMBL113
CFF
Caffeine-13C3
caffenium
SK 65 Compound
Caffeine [BAN:JAN]
1,3,7-trimethyl-1,3,7-trihydropurine-2,6-dione
CAS-58-08-2
Caffeine (USP)
SMR000326667
CCRIS 1314
SR-01000075187
Anhydrous caffeine (TN)
EINECS 200-362-1
Monomethyl derivative of Theophylline
Caffeine [USP:BAN:JAN]
Anhydrous caffeine (JP15)
metilteobromina
Kafeina
trimetilksantina
UNII-3G6A5W338E
1gfz
Caffeine, BioXtra
TNP00310
Monohydrate Caffeine
Respia (TN)
1-methyl-Theobromine
7-methyl Theophylline
Cafergot (Salt/Mix)
1,7-Trimethylxanthine
Spectrum_001301
1l5q
1l7x
2a3b
3g6m
3,7-dihydro-1,3,7-trimethyl-1H-purine
CAFFEINE [FHFI]
CAFFEINE [HSDB]
CAFFEINE [IARC]
CAFFEINE [FCC]
Xanthine,3,7-trimethyl
CAFFEINE [II]
CAFFEINE [MI]
1 3 7-trimetilksantina
CAFFEINE [VANDF]
CAFFEINUM [HPUS]
1,3,7-Trimethylxantine
Spectrum2_001261
Spectrum3_000321
Spectrum4_001782
Spectrum5_000423
Lopac-C-0750
1 3 7-Trimethylxanthine
CAFFEINE [MART.]
bmse000206
CAFFEINE [USP-RS]
CAFFEINE [WHO-DD]
CAFFEINE [WHO-IP]
MolMap_000054
Probes1_000150
Probes2_000128
C 0750
EC 200-362-1
SCHEMBL5671
Anhydrous caffeine (JP18)
NCIOpen2_008255
BIDD:PXR0172
Lopac0_000228
BSPBio_001921
GTPL407
KBioGR_002325
KBioSS_001781
MLS001055341
MLS001056714
MLS001066409
orb422048
BIDD:ER0554
BIDD:GT0632
Caffeine, 1mg/ml in methanol
DivK1c_000730
SPECTRUM1500155
CU-01000012617-3
SPBio_001222
CAFFEINE [ORANGE BOOK]
ESGIC COMPONENT CAFFEINE
TRIAD COMPONENT CAFFEINE
829 - Tea quality parameters
MEGxp0_001350
SCHEMBL1341011
SCHEMBL6362289
CAFFEINE [EP MONOGRAPH]
DIMENHYDRINATE IMPURITY C
FEMCET COMPONENT CAFFEINE
1,3,7-trimethyl-2,6-dioxo-1,2,3,6-tetrahydropurine
ANHYDROUS CAFFEINE [JAN]
CAFFEINE [USP MONOGRAPH]
component of Dilone (Salt/Mix)
1,7-Trimethyl-2,6-dioxopurine
ACon1_000085
ANOQUAN COMPONENT CAFFEINE
BDBM10849
HMS502E12
KBio1_000730
KBio2_001781
KBio2_004349
KBio2_006917
KBio3_001141
Caffeine 1.0 mg/ml in Methanol
CAFFEINE(3-METHYL-13C)
COFFEINUM [WHO-IP LATIN]
CAFERGOT COMPONENT CAFFEINE
Caffeine, powder, ReagentPlus(R)
component of Percodan (Salt/Mix)
EXCEDRIN COMPONENT CAFFEINE
FIORICET COMPONENT CAFFEINE
FIORINAL COMPONENT CAFFEINE
MIGERGOT COMPONENT CAFFEINE
NINDS_000730
NORGESIC COMPONENT CAFFEINE
WIGRAINE COMPONENT CAFFEINE
Bio1_000473
Bio1_000962
Bio1_001451
DHC PLUS COMPONENT CAFFEINE
HMS1920I09
HMS2091O11
HMS2232M13
HMS3260N17
HMS3372J18
HMS3435F10
HMS3715D13
HMS5091J20
Pharmakon1600-01500155
INVAGESIC COMPONENT CAFFEINE
LANORINAL COMPONENT CAFFEINE
Caffeine 10 microg/mL in Methanol
CAFFEINE ANHYDROUS [WHO-IP]
CIA28298
CS-M0795
DDA07266
XCA23885
Tox21_201685
Tox21_300010
Tox21_500228
caffeine (1,3,7-trimethylxanthine)
Caffeine 100 microg/mL in Methanol
CCG-38825
HB2846
NSC755917
ORPHENGESIC COMPONENT CAFFEINE
PDSP1_001016
PDSP1_001235
PDSP2_001000
PDSP2_001219
SBB006474
STK177283
Propoxyphene Compound 65 (Salt/Mix)
SYNALGOS-DC COMPONENT CAFFEINE
AKOS000121334
5-26-13-00558 (Beilstein)
Bayer Select Headache Pain (Salt/Mix)
Caffeine, anhydrous, 99%, FCC, FG
DB00201
FT05891
LP00228
NSC-755917
SDCCGMLS-0064595.P001
SDCCGMLS-0064595.P002
SDCCGSBI-0050216.P005
IDI1_000730
MEDIGESIC PLUS COMPONENT CAFFEINE
SYNALGOS-DC-A COMPONENT CAFFEINE
3,3,7-trimethyl-1H-purine-2,6-dione
DARVON COMPOUND COMPONENT CAFFEINE
INVAGESIC FORTE COMPONENT CAFFEINE
NCGC00015208-01
NCGC00015208-02
NCGC00015208-03
NCGC00015208-04
NCGC00015208-05
NCGC00015208-06
NCGC00015208-07
NCGC00015208-08
NCGC00015208-10
NCGC00015208-11
NCGC00015208-12
NCGC00015208-13
NCGC00015208-14
NCGC00015208-15
NCGC00015208-16
NCGC00015208-17
NCGC00015208-18
NCGC00015208-20
NCGC00015208-27
NCGC00015208-29
NCGC00090699-01
NCGC00090699-02
NCGC00090699-03
NCGC00090699-04
NCGC00090699-05
NCGC00090699-06
NCGC00090699-07
NCGC00090699-08
NCGC00090699-09
NCGC00168808-01
NCGC00168808-02
NCGC00254057-01
NCGC00259234-01
NCGC00260913-01
95789-13-2
AC-12774
AS-15340
Caffeine, SAJ special grade, >=98.5%
component of P-A-C Compound (Salt/Mix)
ST057528
component of A.S.A. Compound (Salt/Mix)
ORPHENGESIC FORTE COMPONENT CAFFEINE
SBI-0050216.P004
DB-023002
WLN: T56 BN DN FNVNVJ B1 F1 H1
C2042
EU-0100228
NS00000273
THEOPHYLLINE IMPURITY A [EP IMPURITY]
526 - Nutritional Analysis of Energy Drinks
EN300-21663
BIM-0050216.0001
C07481
D00528
DIMENHYDRINATE IMPURITY C [EP IMPURITY]
PENTOXIFYLLINE IMPURITY F [EP IMPURITY]
Q60235
1,3,7-trimethyl-3,7-dihydropurine-2,6-dione
1H-Purine-2, 3,7-dihydro-1,3,7-trimethyl-
AB00051930-09
AB00051930_10
Caffeine, purum, anhydrous, >=99.0% (HPLC)
3,7-dihydro-1,3,7-trimethyl-1H-purine (9CI)
Caffeine, anhydrous, tested according to Ph.Eur.
L000155
Caffeine, Sigma Reference Standard, vial of 250 mg
SR-01000075187-1
SR-01000075187-4
SR-01000075187-7
SR-01000075187-8
BRD-K02404261-001-02-7
BRD-K02404261-001-03-5
BRD-K02404261-001-07-6
BRD-K02404261-001-16-7
Caffeine, certified reference material, TraceCERT(R)
Caffeine, meets USP testing specifications, anhydrous
Melting point standard 235-237C, analytical standard
1,3,7-Trimethyl-3,7-dihydro-1H-purine-2,6-dione #
Caffeine, British Pharmacopoeia (BP) Reference Standard
Caffeine, European Pharmacopoeia (EP) Reference Standard
F3371-0262
THEOPHYLLINE MONOHYDRATE IMPURITY A [EP IMPURITY]
Z104507896
07E4FB58-FD79-4175-8E3D-05BF96954522
3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion (coffein)
Caffeine, United States Pharmacopeia (USP) Reference Standard
Caffeine, Pharmaceutical Secondary Standard; Certified Reference Material
Caffeine anhydrous;3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione;7-Methyltheophylline
Caffeine for system suitability, European Pharmacopoeia (EP) Reference Standard
Caffeine melting point standard, United States Pharmacopeia (USP) Reference Standard
InChI=1/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H
114303-55-8
Caffeine Melting Point Standard, Pharmaceutical Secondary Standard; Certified Reference Material
Mettler-Toledo Calibration substance ME 18872, Caffeine, analytical standard, for the calibration of the thermosystem 900, traceable to primary standards (LGC)
Created AtJan 13, 2025 2:47 pm
Updated AtJan 13, 2025 2:47 pm