U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C8H10N4O2
Molecular Weight 194.1906
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CAFFEINE

SMILES

CN1C=NC2=C1C(=O)N(C)C(=O)N2C

InChI

InChIKey=RYYVLZVUVIJVGH-UHFFFAOYSA-N
InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3

HIDE SMILES / InChI

Approval Year

Unknown
86413
Name Type Language
CAFFEINE
EP   FCC   FHFI   HSDB   II   INCI   MART.   MI   ORANGE BOOK   USP   VANDF   WHO-DD   WHO-IP  
INCI  
Official Name English
FEMA NO. 2224
Code English
CAFFEINE [II]
Common Name English
TREZIX COMPONENT CAFFEINE
Brand Name English
CAFFEINE [FCC]
Common Name English
CAFFEINE COMPONENT OF CAFERGOT
Common Name English
THEOPHYLLINE IMPURITY A [EP IMPURITY]
Common Name English
CAFFEINE [HSDB]
Common Name English
CAFFEINE COMPONENT OF NORGESIC
Common Name English
CAFFEINE ANHYDROUS [WHO-IP]
Common Name English
CAFFEINE COMPONENT OF FIORINAL
Common Name English
FEMCET COMPONENT CAFFEINE
Common Name English
FIORINAL COMPONENT CAFFEINE
Common Name English
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3,7-TRIMETHYL-
Systematic Name English
SYNALGOS
Common Name English
INVAGESIC COMPONENT CAFFEINE
Common Name English
CAFERGOT COMPONENT CAFFEINE
Common Name English
CAFFEINE [ORANGE BOOK]
Common Name English
SYNALGOS-DC COMPONENT CAFFEINE
Common Name English
CAFFEINUM [HPUS]
Common Name English
VIVARIN
Common Name English
DIMENHYDRINATE IMPURITY C [EP IMPURITY]
Common Name English
ORPHENGESIC COMPONENT CAFFEINE
Common Name English
CAFFEINE COMPONENT OF LANORINAL
Common Name English
THEINE
Common Name English
CAFFEINE COMPONENT OF ORPHENGESIC
Common Name English
MIGERGOT COMPONENT CAFFEINE
Common Name English
GUARANINE
Common Name English
CAFFEINE COMPONENT OF SYNALGOS-DC-A
Common Name English
DHC PLUS COMPONENT CAFFEINE
Common Name English
CAFFEINE COMPONENT OF FIORICET
Common Name English
TRIAD COMPONENT CAFFEINE
Common Name English
CAFFEINE [USP-RS]
Common Name English
CAFFEINE COMPONENT OF INVAGESIC
Common Name English
INVAGESIC FORTE COMPONENT CAFFEINE
Common Name English
CAFFEINE [INCI]
Common Name English
CAFFEINE [FHFI]
Common Name English
ESGIC COMPONENT CAFFEINE
Common Name English
CAFFEINE COMPONENT OF TRIAD
Common Name English
NORGESIC COMPONENT CAFFEINE
Common Name English
SYNALGOS-DC-A COMPONENT CAFFEINE
Common Name English
COFFEINUM [WHO-IP LATIN]
Common Name English
CAFFEINE COMPONENT OF DHC PLUS
Common Name English
ANHYDROUS CAFFEINE
JAN  
Common Name English
CAFFEINE COMPONENT OF SYNALGOS-DC
Common Name English
CAFFEINE [VANDF]
Common Name English
CAFFEINE COMPONENT OF WIGRAINE
Common Name English
CAFFEINE COMPONENT OF ESGIC
Common Name English
DARVON COMPOUND COMPONENT CAFFEINE
Common Name English
CAFFEINE COMPONENT OF ORPHENGESIC FORTE
Common Name English
CAFFEINE [IARC]
Common Name English
ORPHENGESIC FORTE COMPONENT CAFFEINE
Common Name English
CAFFEINE COMPONENT OF EXCEDRIN
Common Name English
CAFFEINE COMPONENT OF INVAGESIC FORTE
Common Name English
CAFFEINE [EP MONOGRAPH]
Common Name English
CAFFEINUM
HPUS  
Common Name English
FIORICET COMPONENT CAFFEINE
Common Name English
MEDIGESIC PLUS COMPONENT CAFFEINE
Common Name English
METHYLTHEOBROMINE
Systematic Name English
CAFFEINE COMPONENT OF FEMCET
Common Name English
CAFFEINE COMPONENT OF DARVON COMPOUND
Common Name English
EXCEDRIN COMPONENT CAFFEINE
Common Name English
CAFFEINE COMPONENT OF MEDIGESIC PLUS
Common Name English
CAFFEINE [WHO-IP]
Common Name English
CAFFEINE COMPONENT OF MIGERGOT
Common Name English
CAFFEINE [MI]
Common Name English
NSC-5036
Code English
DIMENHYDRINATE IMPURITY C
EP  
Common Name English
ANHYDROUS CAFFEINE [JAN]
Common Name English
WIGRAINE COMPONENT CAFFEINE
Common Name English
CAFFEINE COMPONENT OF ANOQUAN
Common Name English
Caffeine [WHO-DD]
Common Name English
LANORINAL COMPONENT CAFFEINE
Common Name English
PENTOXIFYLLINE IMPURITY F [EP IMPURITY]
Common Name English
ANOQUAN COMPONENT CAFFEINE
Common Name English
CAFFEINE MELTING POINT STANDARD
USP-RS  
Common Name English
CAFFEINE [MART.]
Common Name English
1,3,7-Trimethylxanthine
Systematic Name English
THEOPHYLLINE MONOHYDRATE IMPURITY A [EP IMPURITY]
Common Name English
CAFFEINE [USP MONOGRAPH]
Common Name English
DURVITAN
Common Name English
Classification Tree Code System Code
WHO-VATC QV04CG30
Created by admin on Fri Dec 15 15:20:53 UTC 2023 , Edited by admin on Fri Dec 15 15:20:53 UTC 2023
NDF-RT N0000175729
Created by admin on Fri Dec 15 15:20:53 UTC 2023 , Edited by admin on Fri Dec 15 15:20:53 UTC 2023
CFR 21 CFR 340.10
Created by admin on Fri Dec 15 15:20:53 UTC 2023 , Edited by admin on Fri Dec 15 15:20:53 UTC 2023
NDF-RT N0000175790
Created by admin on Fri Dec 15 15:20:53 UTC 2023 , Edited by admin on Fri Dec 15 15:20:53 UTC 2023
WHO-VATC QN06BC01
Created by admin on Fri Dec 15 15:20:53 UTC 2023 , Edited by admin on Fri Dec 15 15:20:53 UTC 2023
NCI_THESAURUS C54060
Created by admin on Fri Dec 15 15:20:53 UTC 2023 , Edited by admin on Fri Dec 15 15:20:53 UTC 2023
NCI_THESAURUS C47795
Created by admin on Fri Dec 15 15:20:53 UTC 2023 , Edited by admin on Fri Dec 15 15:20:53 UTC 2023
NDF-RT N0000175739
Created by admin on Fri Dec 15 15:20:53 UTC 2023 , Edited by admin on Fri Dec 15 15:20:53 UTC 2023
IARC Caffeine
NDF-RT N0000008118
Created by admin on Fri Dec 15 15:20:53 UTC 2023 , Edited by admin on Fri Dec 15 15:20:53 UTC 2023
NDF-RT N0000008118
Created by admin on Fri Dec 15 15:20:53 UTC 2023 , Edited by admin on Fri Dec 15 15:20:53 UTC 2023
DSLD 367 (Number of products:3156)
Created by admin on Fri Dec 15 15:20:53 UTC 2023 , Edited by admin on Fri Dec 15 15:20:53 UTC 2023
FDA ORPHAN DRUG 367512
Created by admin on Fri Dec 15 15:20:53 UTC 2023 , Edited by admin on Fri Dec 15 15:20:53 UTC 2023
EPA PESTICIDE CODE 660
Created by admin on Fri Dec 15 15:20:53 UTC 2023 , Edited by admin on Fri Dec 15 15:20:53 UTC 2023
WHO-ATC V04CG30
Created by admin on Fri Dec 15 15:20:53 UTC 2023 , Edited by admin on Fri Dec 15 15:20:53 UTC 2023
FDA ORPHAN DRUG 31288
Created by admin on Fri Dec 15 15:20:53 UTC 2023 , Edited by admin on Fri Dec 15 15:20:53 UTC 2023
WHO-ATC N06BC01
Created by admin on Fri Dec 15 15:20:53 UTC 2023 , Edited by admin on Fri Dec 15 15:20:53 UTC 2023
LIVERTOX NBK559835
Created by admin on Fri Dec 15 15:20:53 UTC 2023 , Edited by admin on Fri Dec 15 15:20:53 UTC 2023
CFR 21 CFR 340.50
Created by admin on Fri Dec 15 15:20:53 UTC 2023 , Edited by admin on Fri Dec 15 15:20:53 UTC 2023
Code System Code Type Description
LACTMED
Caffeine
Created by admin on Fri Dec 15 15:20:53 UTC 2023 , Edited by admin on Fri Dec 15 15:20:53 UTC 2023
PRIMARY
MESH
D002110
Created by admin on Fri Dec 15 15:20:53 UTC 2023 , Edited by admin on Fri Dec 15 15:20:53 UTC 2023
PRIMARY
RXCUI
1886
Created by admin on Fri Dec 15 15:20:53 UTC 2023 , Edited by admin on Fri Dec 15 15:20:53 UTC 2023
PRIMARY RxNorm
DAILYMED
3G6A5W338E
Created by admin on Fri Dec 15 15:20:53 UTC 2023 , Edited by admin on Fri Dec 15 15:20:53 UTC 2023
PRIMARY
IUPHAR
407
Created by admin on Fri Dec 15 15:20:53 UTC 2023 , Edited by admin on Fri Dec 15 15:20:53 UTC 2023
PRIMARY
WHO INTERNATIONAL PHARMACOPEIA
CAFFEINE
Created by admin on Fri Dec 15 15:20:53 UTC 2023 , Edited by admin on Fri Dec 15 15:20:53 UTC 2023
PRIMARY Description: Silky, colourless crystals or a white, crystalline powder; odourless. Solubility: Soluble in 60 parts of water and in 100 parts of ethanol (~750 g/l) TS; slightly soluble in ether R. Category: Central nervous stimulant. Storage: Caffeine should be kept in a well-closed container. Labelling: The designation on the container of Caffeine should state whether the substance is the monohydrate or is in the anhydrous form. Additional information: Caffeine monohydrate is efflorescent in air. Definition: Caffeine contains not less than 98.5% and not more than 101.0% of C8H10N4O2, calculated with reference to the dried substance.
DRUG CENTRAL
463
Created by admin on Fri Dec 15 15:20:53 UTC 2023 , Edited by admin on Fri Dec 15 15:20:53 UTC 2023
PRIMARY
RS_ITEM_NUM
1086006
Created by admin on Fri Dec 15 15:20:53 UTC 2023 , Edited by admin on Fri Dec 15 15:20:53 UTC 2023
ALTERNATIVE
DRUG BANK
DB00201
Created by admin on Fri Dec 15 15:20:53 UTC 2023 , Edited by admin on Fri Dec 15 15:20:53 UTC 2023
PRIMARY
ChEMBL
CHEMBL113
Created by admin on Fri Dec 15 15:20:53 UTC 2023 , Edited by admin on Fri Dec 15 15:20:53 UTC 2023
PRIMARY
HSDB
35
Created by admin on Fri Dec 15 15:20:53 UTC 2023 , Edited by admin on Fri Dec 15 15:20:53 UTC 2023
PRIMARY
PUBCHEM
2519
Created by admin on Fri Dec 15 15:20:53 UTC 2023 , Edited by admin on Fri Dec 15 15:20:53 UTC 2023
PRIMARY
WIKIPEDIA
CAFFEINE
Created by admin on Fri Dec 15 15:20:53 UTC 2023 , Edited by admin on Fri Dec 15 15:20:53 UTC 2023
PRIMARY
RS_ITEM_NUM
1085003
Created by admin on Fri Dec 15 15:20:53 UTC 2023 , Edited by admin on Fri Dec 15 15:20:53 UTC 2023
PRIMARY
NCI_THESAURUS
C328
Created by admin on Fri Dec 15 15:20:53 UTC 2023 , Edited by admin on Fri Dec 15 15:20:53 UTC 2023
PRIMARY
EPA CompTox
DTXSID0020232
Created by admin on Fri Dec 15 15:20:53 UTC 2023 , Edited by admin on Fri Dec 15 15:20:53 UTC 2023
PRIMARY
CHEBI
27732
Created by admin on Fri Dec 15 15:20:53 UTC 2023 , Edited by admin on Fri Dec 15 15:20:53 UTC 2023
PRIMARY
EVMPD
SUB26077
Created by admin on Fri Dec 15 15:20:53 UTC 2023 , Edited by admin on Fri Dec 15 15:20:53 UTC 2023
PRIMARY
ECHA (EC/EINECS)
200-362-1
Created by admin on Fri Dec 15 15:20:53 UTC 2023 , Edited by admin on Fri Dec 15 15:20:53 UTC 2023
PRIMARY
NSC
5036
Created by admin on Fri Dec 15 15:20:53 UTC 2023 , Edited by admin on Fri Dec 15 15:20:53 UTC 2023
PRIMARY
GRAS Notification (GRN No.)
347
Created by admin on Fri Dec 15 15:20:53 UTC 2023 , Edited by admin on Fri Dec 15 15:20:53 UTC 2023
PRIMARY
EVMPD
SUB13146MIG
Created by admin on Fri Dec 15 15:20:53 UTC 2023 , Edited by admin on Fri Dec 15 15:20:53 UTC 2023
PRIMARY
CAS
58-08-2
Created by admin on Fri Dec 15 15:20:53 UTC 2023 , Edited by admin on Fri Dec 15 15:20:53 UTC 2023
PRIMARY
MERCK INDEX
m2909
Created by admin on Fri Dec 15 15:20:53 UTC 2023 , Edited by admin on Fri Dec 15 15:20:53 UTC 2023
PRIMARY Merck Index
FDA UNII
3G6A5W338E
Created by admin on Fri Dec 15 15:20:53 UTC 2023 , Edited by admin on Fri Dec 15 15:20:53 UTC 2023
PRIMARY
SMS_ID
100000089693
Created by admin on Fri Dec 15 15:20:53 UTC 2023 , Edited by admin on Fri Dec 15 15:20:53 UTC 2023
PRIMARY
ACTIVE MOIETY
Structure of CAFFEINE
METABOLITE (PARENT)
Structure of 1,7-DIMETHYLURIC ACID
METABOLITE (PARENT)
Structure of 1-METHYLXANTHINE
METABOLITE (PARENT)
Structure of 1-METHYLURIC ACID
METABOLITE ACTIVE (PARENT)
Structure of THEOBROMINE
METABOLITE ACTIVE (PARENT)
Structure of PARAXANTHINE
PARENT (METABOLITE ACTIVE)
Structure of THEOPHYLLINE ANHYDROUS
SALT/SOLVATE (PARENT)
Structure of CAFFEINE CITRATE
SALT/SOLVATE (PARENT)
Structure of CAFFEINE BENZOATE
SALT/SOLVATE (PARENT)
Structure of CAFFEINE MONOHYDRATE
SALT/SOLVATE (PARENT)
Structure of caffeine sodium iodide
SALT/SOLVATE (PARENT)
Structure of CAFFEINE SALICYLATE
NIH
NCATS
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