Molecular Identity
Caffeine Citrate
2-hydroxypropane-1,2,3-tricarboxylic acid;1,3,7-trimethylpurine-2,6-dione
PubChem CID: 6241
2D Structure
Properties
C14H18N4O9
Molecular Formula
386.31
Molecular Weight
g/mol
386.1074
Exact Mass
Da
191
TPSA
May have limited oral absorption
4
H-Bond Donors
10
H-Bond Acceptors
520
Complexity
SMILES
Canonical SMILES
SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)OIsomeric SMILES
SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)OSynonyms(20)
Caffeine citrate69-22-7Caffeine, CitratedCafcitCitrated caffeineDTXSID5046938peyonaU26EO4675Q1,2,3-Propanetricarboxylic acid, 2-hydroxy-, mixt. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dioneDTXCID3026938NSC63248Caffeina CitrataRefChem:54593Caffeine Citrate Oral Solution614-938-9
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Caffeine Citrate
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