CAFFEINE BENZOATE

OC(=O)C1=CC=CC=C1.CN2C=NC3=C2C(=O)N(C)C(=O)N3C

InChIKey=VXXKVQICUHMECR-UHFFFAOYSA-N

InChI=1S/C8H10N4O2.C7H6O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;8-7(9)6-4-2-1-3-5-6/h4H,1-3H3;1-5H,(H,8,9)

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

PubMed

Title	Date	PubMed
Effect of caffeine on UVB-induced carcinogenesis, apoptosis, and the elimination of UVB-induced patches of p53 mutant epidermal cells in SKH-1 mice.	2008-01-09	18179623
The effects of caffeine on the inducibility of atrial fibrillation.	2006-10	16919674
Supraventricular tachycardia in a patient receiving ECT, clozapine, and caffeine.	1994-09	7834261
Grand mal seizure in a postpartum patient following intravenous infusion of caffeine sodium benzoate to treat persistent headache.	1992-01-01	1540370
Fixed drug combinations and the displacement of bilirubin from albumin.	1971-07	5561865

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:25:15 GMT 2025` Edited by `admin` on `Mon Mar 31 19:25:15 GMT 2025`
Record UNII	C2154V12SE
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

CAFFEINE BENZOATE

Official Name

English

BENZOIC ACID, COMPD. WITH CAFFEINE (1:1)

Preferred Name

English

1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3,7-TRIMETHYL-, BENZOATE (1:1)

Systematic Name

English

BENZOIC ACID, COMPD. WITH 3,7-DIHYDRO-1,3,7-TRIMETHYL-1H-PURINE-2,6-DIONE (1:1)

Systematic Name

English

1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3,7-TRIMETHYL-, MONOBENZOATE

Systematic Name

English

CAFFEINE, MONOBENZOATE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID10206016