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Details

Stereochemistry ACHIRAL
Molecular Formula C8H10N4O2.C6H8O7
Molecular Weight 386.3141
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CAFFEINE CITRATE

SMILES

OC(=O)CC(O)(CC(O)=O)C(O)=O.CN1C=NC2=C1C(=O)N(C)C(=O)N2C

InChI

InChIKey=RCQXSQPPHJPGOF-UHFFFAOYSA-N
InChI=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)

HIDE SMILES / InChI
Molecular Formula C8H10N4O2
Molecular Weight 194.1906
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C6H8O7
Molecular Weight 192.1235
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:42:48 UTC 2023
Edited
by admin
on Fri Dec 15 15:42:48 UTC 2023
Record UNII
U26EO4675Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CAFFEINE CITRATE
EMA EPAR   MART.   ORANGE BOOK   USP   WHO-DD  
Systematic Name English
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3,7-TRIMETHYL-, 2-HYDROXYPROPANE-1,2,3-TRICARBOXYLATE
Systematic Name English
CAFFEINE MIXTURE WITH CITRIC ACID
MI  
Common Name English
CITRATED CAFFEINE [VANDF]
Common Name English
Caffeine citrate [WHO-DD]
Common Name English
CAFFEINE MIXTURE WITH CITRIC ACID [MI]
Common Name English
CAFFEINE CITRATE [ORANGE BOOK]
Common Name English
PEYONA
Brand Name English
CAFFEINE CITRATE [EMA EPAR]
Common Name English
1,2,3-PROPANETRICARBOXYLIC ACID, 2-HYDROXY-, MIXT. WITH 3,7-DIHYDRO-1,3,7-TRIMETHYL-1H-PURINE-2,6-DIONE
Common Name English
CAFCIT
Brand Name English
CAFFEINE CITRATE [MART.]
Common Name English
CAFFEINE, CITRATED
Common Name English
3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione citrate
Systematic Name English
CITRATED CAFFEINE
VANDF  
Common Name English
CAFFEINE CITRATE [USP IMPURITY]
Common Name English
Classification Tree Code System Code
EU-Orphan Drug EU/3/03/132
Created by admin on Fri Dec 15 15:42:48 UTC 2023 , Edited by admin on Fri Dec 15 15:42:48 UTC 2023
EMA ASSESSMENT REPORTS PEYONA (AUTHORIZED: APNEA)
Created by admin on Fri Dec 15 15:42:48 UTC 2023 , Edited by admin on Fri Dec 15 15:42:48 UTC 2023
NCI_THESAURUS C47795
Created by admin on Fri Dec 15 15:42:48 UTC 2023 , Edited by admin on Fri Dec 15 15:42:48 UTC 2023
WHO-ESSENTIAL MEDICINES LIST 29
Created by admin on Fri Dec 15 15:42:48 UTC 2023 , Edited by admin on Fri Dec 15 15:42:48 UTC 2023
Code System Code Type Description
RXCUI
20033
Created by admin on Fri Dec 15 15:42:48 UTC 2023 , Edited by admin on Fri Dec 15 15:42:48 UTC 2023
PRIMARY RxNorm
ChEMBL
CHEMBL113
Created by admin on Fri Dec 15 15:42:48 UTC 2023 , Edited by admin on Fri Dec 15 15:42:48 UTC 2023
PRIMARY
EVMPD
SUB13151MIG
Created by admin on Fri Dec 15 15:42:48 UTC 2023 , Edited by admin on Fri Dec 15 15:42:48 UTC 2023
PRIMARY
NCI_THESAURUS
C1033
Created by admin on Fri Dec 15 15:42:48 UTC 2023 , Edited by admin on Fri Dec 15 15:42:48 UTC 2023
PRIMARY
DAILYMED
U26EO4675Q
Created by admin on Fri Dec 15 15:42:48 UTC 2023 , Edited by admin on Fri Dec 15 15:42:48 UTC 2023
PRIMARY
MERCK INDEX
m2909
Created by admin on Fri Dec 15 15:42:48 UTC 2023 , Edited by admin on Fri Dec 15 15:42:48 UTC 2023
PRIMARY Merck Index
MESH
C026189
Created by admin on Fri Dec 15 15:42:48 UTC 2023 , Edited by admin on Fri Dec 15 15:42:48 UTC 2023
PRIMARY
WIKIPEDIA
CAFFEINE CITRATE
Created by admin on Fri Dec 15 15:42:48 UTC 2023 , Edited by admin on Fri Dec 15 15:42:48 UTC 2023
PRIMARY
FDA UNII
U26EO4675Q
Created by admin on Fri Dec 15 15:42:48 UTC 2023 , Edited by admin on Fri Dec 15 15:42:48 UTC 2023
PRIMARY
DRUG BANK
DBSALT000866
Created by admin on Fri Dec 15 15:42:48 UTC 2023 , Edited by admin on Fri Dec 15 15:42:48 UTC 2023
PRIMARY
PUBCHEM
6241
Created by admin on Fri Dec 15 15:42:48 UTC 2023 , Edited by admin on Fri Dec 15 15:42:48 UTC 2023
PRIMARY
SMS_ID
100000091411
Created by admin on Fri Dec 15 15:42:48 UTC 2023 , Edited by admin on Fri Dec 15 15:42:48 UTC 2023
PRIMARY
CAS
69-22-7
Created by admin on Fri Dec 15 15:42:48 UTC 2023 , Edited by admin on Fri Dec 15 15:42:48 UTC 2023
PRIMARY
EPA CompTox
DTXSID5046938
Created by admin on Fri Dec 15 15:42:48 UTC 2023 , Edited by admin on Fri Dec 15 15:42:48 UTC 2023
PRIMARY
Related Record Type Details
Structure of CAFFEINE
PARENT -> SALT/SOLVATE
Structure of ANHYDROUS CITRIC ACID
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of CAFFEINE
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