Caffeine Citrate - CAS 69-22-7

Caffeine citrate (Cat. No: R059366) is a citrate form of caffeine that can be used to include short-term treatment of apnea in preterm infants. The function of caffeine citrate is equivalent to caffeine, but it takes effect faster. Its dissociation rate is faster than caffeine.

Catalog Number: R059366

CAS Number: 69-22-7

PubChem Substance ID:355152498

Molecular Formula: C14H18N4O9

Molecular Weight:386.317

Purity: ≥95%

* For research use only. Not for human or veterinary use.

Synonym

Synonyms2-Hydroxy-1,2,3-propanetricarboxylic Acid 3,7-Dihydro-1,3,7-trimethyl-?1H-purine-2,6-dione; Citrated Caffeine;

Property

Molecular Formula: C14H18N4O9
Molecular Weight386.317
Purity≥95%
StorageRT

Computed Descriptor

IUPAC Name2-hydroxypropane-1,2,3-tricarboxylic acid;1,3,7-trimethylpurine-2,6-dione
InChIInChI=1S/C8H10N4O2.C6H8O7/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;7-3(8)1-6(13,5(11)12)2-4(9)10/h4H,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyRCQXSQPPHJPGOF-UHFFFAOYSA-N
SMILESCN1C=NC2=C1C(=O)N(C(=O)N2C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O