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

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:54:13 UTC 2023` Edited by `admin` on `Fri Dec 15 18:54:13 UTC 2023`
Record UNII	C2154V12SE
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

CAFFEINE BENZOATE

Official 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

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

Common Name

English

CAFFEINE BENZOATE [INCI]

Common 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