Basic information
- CAS
69-22-7- Standard SMILES
Cn1c(=O)c2c(ncn2C)n(C)c1=O.O=C(O)CC(O)(CC(=O)O)C(=O)O- InChIKey
RCQXSQPPHJPGOF-UHFFFAOYSA-N- Molecular formula
- C14H18N4O9
- Average molar mass
- 386.31 g/mol
- Monoisotopic mass
- 386.10737816
Names & identifiers
- Preferred name
- Caffeine Citrate
- IUPAC
- 2-hydroxypropane-1,2,3-tricarboxylic acid;1,3,7-trimethylpurine-2,6-dione
- English name
- CAFFEINE CITRATED
- Molecular formula
- C14H18N4O9
- Molecular weight
- 386.32
Names & synonyms
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 Citrata
Show more names
Kaffein,CitratcaffeinacitratecitratedcaffeinCOFFEINE CITRATECAFFEINE CITRATEDGUARANINE CITRATECoffeinum-citratecaffeinecitrate(1:1)
RefChem:54593Caffeine Citrate Oral Solution614-938-9NCGC00015208-09Caffeina citrateCitrated caffein2-hydroxypropane-1,2,3-tricarboxylic acid;1,3,7-trimethylpurine-2,6-dioneCaffeine citrate (1:1)
Database identifiers
- CAS
69-22-7- PubChem CID
- 6241
- DTXSID
DTXSID5046938- ChEMBL
CHEMBL1200569- UNII
- U26EO4675Q
- EC Number
- 614-938-9
Properties
Computed structural properties
- Topological polar surface area
- 191 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 520
Physicochemical properties
- Melting point
- 159 · 159-161°C
- storage temp.
- Refrigerator
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- BCS Class
- 1 · 1,3
- LogP
- -0.131 · -0.131 (est)
- FDA 21 CFR
- 310.545 · 310.545
- FDA UNII
- 26 EO4675Q · U26EO4675Q
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
- RIDADR
- 1544 · 1544
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
Safety & regulation
Safety data
- ridadr
- 1544
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- 6.1(b)
- packing_group
- III
- Hazard statements
- H319-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesCaffeine citrate (Cafcit) is a citrate salt of Caffeine, sometimes used in medical treatment, including short-term treatment of apnea of prematurity (lack of breathing in premature infants). Caffeine citrate functions in much the same capacity as does caffeine, but takes effect more quickly; its speed of dissociation is faster than that of Caffeine. Caffeine citrate is typically only used to treat severe migraines.
Suppliers8 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
Beckmann-Kenko GmbH+49 4241 9308 88 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
Chongqing jooe co., ltd+86-15223382610 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…