3,7-dimethylxanthine
Test Ligands Values Explained
- Test Ligand ID - A unique identifier for the test ligand
- Ligand Name - Name of the test ligand
| Test Ligand ID | 2809 |
|---|---|
| Ligand Name | 3,7-dimethylxanthine |
| PubMed Compound Id | 5429 |
| Structure | |
| Molecular Formula | C7H8N4O2 |
| Molecular Weight | 180.16 |
| SMILES | CN1C=NC2=C1C(=O)NC(=O)N2C |
| Synonyms | theobromine 83-67-0 3,7-Dimethylxanthine Diurobromine Theosalvose Santheose Teobromin Theostene Thesodate Thesal 3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione 3,7-dimethylpurine-2,6-dione Theobromin Xantheose Xanthine, 3,7-dimethyl- 3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione FEMA No. 3591 Theobrominum Theobromine (natural) SC 15090 NSC 5039 CCRIS 2350 BRN 0016464 HSDB 7332 UNII-OBD445WZ5P NSC-5039 EINECS 201-494-2 OBD445WZ5P DTXSID9026132 CHEBI:28946 SC-15090 DTXCID506132 5-26-13-00553 (Beilstein Handbook Reference) THEOBROMINE (IARC) THEOBROMINE [IARC] THEOBROMINE (MART.) THEOBROMINE [MART.] THEOBROMINE (EP IMPURITY) THEOBROMINE [EP IMPURITY] PENTOXIFYLLINE IMPURITY A (EP IMPURITY) PENTOXIFYLLINE IMPURITY A [EP IMPURITY] 201-494-2 2,6-Dihydroxy-3,7-dimethylpurine 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl- MFCD00022830 519-41-5 2,6-Dihydroxy-3,7-dimethyl-purine 3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione CHEMBL1114 NSC5039 Theobromine (3,7-Dimethylxanthine) 3,7-dimethyl-1H-purine-2,6-dione CAS-83-67-0 NCGC00016023-11 3,7-dimethyl-1,3,7-trihydropurine-2,6-dione 7-Dimethylxanthine SR-01000000069 Theobromine [INN:BAN:NF] 37T Prestwick_1054 Theobromine(20%) 3,7-dimethylxanthin Spectrum_000053 Theobromine (Standard) 3,7-Dimethyl-xanthine Caffeine EP impurity D THEOBROMINE [MI] Prestwick0_000874 Prestwick1_000874 Prestwick2_000874 Prestwick3_000874 Spectrum2_000985 Spectrum3_000279 Spectrum4_000403 Spectrum5_001387 Lopac-T-4500 THEOBROMINE [FHFI] THEOBROMINE [HSDB] THEOBROMINE [VANDF] THEOBROMINUM [HPUS] SCHEMBL3184 Theobromine, >=98.0% Lopac0_001187 BSPBio_000947 BSPBio_001758 KBioGR_000666 KBioSS_000433 THEOBROMINE [WHO-DD] MLS000028407 DivK1c_000611 SPECTRUM1500649 SPBio_001049 SPBio_002868 BPBio1_001043 SCHEMBL2136936 SCHEMBL7587207 Theobromine, analytical standard SCHEMBL10582332 SCHEMBL27344668 HMS501O13 HY-N0138R KBio1_000611 KBio2_000433 KBio2_003001 KBio2_005569 KBio3_001258 YAPQBXQYLJRXSA-UHFFFAOYSA- MSK7920 NINDS_000611 HMS1570P09 HMS1921O13 HMS2092G04 HMS2097P09 HMS3263N15 HMS3714P09 Pharmakon1600-01500649 HY-N0138 Theobromine 0.1 mg/ml in Methanol Theobromine, >=98.0% (HPLC) Tox21_110284 Tox21_300016 Tox21_501187 BBL034679 BDBM50014260 CCG-40078 NSC757407 PDSP1_001017 PDSP2_001001 s2368 SBB012378 STL419465 AKOS000121558 Tox21_110284_1 5-26-13-00553 (Beilstein) CS-7972 DB01412 FT33795 LP01187 NSC-757407 SDCCGMLS-0002875.P003 SDCCGSBI-0051154.P004 IDI1_000611 NCGC00016023-01 NCGC00016023-02 NCGC00016023-03 NCGC00016023-04 NCGC00016023-05 NCGC00016023-06 NCGC00016023-07 NCGC00016023-08 NCGC00016023-09 NCGC00016023-10 NCGC00016023-12 NCGC00016023-13 NCGC00016023-14 NCGC00016023-15 NCGC00016023-17 NCGC00016023-18 NCGC00016023-26 NCGC00024123-03 NCGC00024123-04 NCGC00024123-05 NCGC00024123-06 NCGC00024123-07 NCGC00024123-08 NCGC00179030-01 NCGC00179030-02 NCGC00253943-01 NCGC00261872-01 WLN: T56 BN DN FNVMVJ B1 F1 AC-11381 AC-34381 AS-13904 DA-68137 SMR000058357 ST069337 SY048379 SBI-0051154.P003 1H-Purine-2, 3,7-dihydro-3,7-dimethyl- AB00052141 EU-0101187 NS00009946 T0178 EN300-16609 purine-2,6(1H,3H)-dione, 3,7-dimethyl- 3,7-Dimethyl-1H-purine-2,6(3H,7H)-dione C07480 D71206 T 4500 AB00052141_12 Q206844 3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione # SR-01000000069-2 SR-01000000069-4 SR-01000000069-7 SR-01000000069-8 SR-01000000069-9 BRD-K34888156-001-08-8 BRD-K34888156-001-11-2 BRD-K34888156-213-01-4 CAFFEINE MONOHYDRATE IMPURITY D [EP IMPURITY] CEC63CCA-3B4B-4F4F-92C1-1789DF3C880A SR-01000000069-10 Z56347209 1H-purine-2,6-dione,3,7-dihydro-3,7- dimethyl- (9CI) Theobromine, European Pharmacopoeia (EP) Reference Standard 3,7-DIMETHYLXANTHINE; 3,7-DIMETHYLPURINE-2,6-DIONE Theobromine, Pharmaceutical Secondary Standard; Certified Reference Material InChI=1/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13) |
| Created At | Jan 13, 2025 2:47 pm |
| Updated At | Jan 13, 2025 2:47 pm |