Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00593
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| Drug Name |
Caffeine
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| Synonyms |
1,3,7-Trimethyl-2,6-dioxopurine; 1,3,7-Trimethylpurine-2,6-dione; 1,3,7-Trimethylxanthine; 1-3-7-TRIMETHYLXANTHINE; 1-methyltheobromine; 3,7-dihydro-1,3,7-trimethyl-1H-purine; 7-Methyltheophylline; Alert-pep; Anacin Maximum Strength; Anhydrous caffeine; Anhydrous caffeine (JP15); Anhydrous caffeine (TN); Berlin-Chemie Brand of Caffeine; Bristol-Myers Squibb Brand of Caffeine; C 0750; CFF; CU-01000012617-3; Cafamil; Cafcit (TN); Cafecon; Cafeina; Cafeine; Caffedrine; Caffedrine Caplets; Caffein; Caffeina; Caffeina [Italian]; Caffeine (USP); Caffeine (natural); Caffeine Pure; Caffeine [BAN:JAN]; Caffeine solution; Caffeine, Monohydrate; Caffeine, anhydrous; Caffeine, synthetic; Caffenium; Caffine; Cafipel; Coffein; Coffein [German]; Coffeine; Coffeinum; Coffeinum N; Coffeinum Purrum; Component of Cafergot; DHC Plus; DHCplus; Dasin; Dexitac; Dexitac Stay Alert Stimulant; Diurex; Durvitan; Eldiatric C; Enerjets; Ercatab; GlaxoSmithKline Brand of Caffeine; Guaranine; Hycomine; Hycomine Compound; Keep Alert; Kofein; Kofein [Czech]; Koffein; Koffein [German]; Mateina; Merck dura Brand of Caffeine; Methyltheobromide; Methyltheobromine; Methylxanthine theophylline; Midol Maximum Strength; Miudol; Monomethyl derivative of Theophylline; Natural Caffeinum; Nix Nap; No Doz; No-Doz; Nodaca; Nodoz Maximum Strength Caplets; Organex; P-A-C Analgesic Tablets; Passauer Brand of Caffeine; Pep-Back; Percoffedrinol N; Percutafeine; Phensal; Pierre Fabre Brand of Caffeine; Propoxyphene Compound 65; Propoxyphene Compound-65; Quick Pep; Quick-Pep; Refresh'n; Republic Drug Brand of Caffeine; SK 65 Compound; SK-65 Compound; Seid Brand of Caffeine; Stim; TNP00310; Teina; Thein; Theine; Theobromine Me; Theophylline Me; Theophylline, 7-methyl; Thompson Brand 1 of Caffeine; Thompson Brand 2 of Caffeine; Tirend; Tri-Aqua; Ultra Pep-Back; Vivarin; Wake-Up; Xanthine, 1,3,7-trimethyl
|
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| Drug Type |
Small molecular drug
|
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| Therapeutic Class |
Antihypertensive Agents
|
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| Structure |
|
 |
||||
| 3D MOL | 2D MOL | |||||
| Formula |
C8H10N4O2
|
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| Canonical SMILES |
CN1C=NC2=C1C(=O)N(C(=O)N2C)C
|
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| InChI |
InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
|
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| InChIKey |
RYYVLZVUVIJVGH-UHFFFAOYSA-N
|
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| CAS Number |
CAS 58-08-2
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| Pharmaceutical Properties | Molecular Weight | 194.19 | Topological Polar Surface Area | 58.4 | ||
| Heavy Atom Count | 14 | Rotatable Bond Count | 0 | |||
| Hydrogen Bond Donor Count | 0 | Hydrogen Bond Acceptor Count | 3 | |||
| XLogP |
-0.1
|
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| PubChem CID | ||||||
| PubChem SID |
10528151
,10560612
,11110907
,11110908
,11120353
,11120841
,11121329
,11335905
,11361144
,11364195
,11366757
,11369319
,11371241
,11375461
,11377481
,11455699
,11462116
,11484958
,11489077
,11490137
,11493596
,11495115
,11528255
,11535451
,11537628
,14772978
,17389997
,17404791
,21317890
,24277682
,24856687
,24886771
,3132319
,5635243
,589166
,597401
,71207
,7847594
,7886558
,7978841
,8026209
,8139831
,8144467
,8149227
,8151672
,820671
,830649
,842006
,866261
,9684
|
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| ChEBI ID |
ChEBI:27732
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| TTD Drug ID | ||||||
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