Products for Research Use Only
RegisterLogin

Caffeine/sodium benzoate 50/50 mixture

CAT: 0286-C00720Size: 100 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0286-C00720Size:100 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
8000-95-1
Synonyms
Coffeine sodium benzoate; Guaranine sodium benzoate; Methyltheobromine sodium benzoate; 1,3,7-Trimethyl-2,6-dioxopurine sodium benzoate; 1,3,7-Trimethylxanthine sodium benzoate
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00050906
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Sodium caffeine benzoate

Sodium caffeine benzoate is a mixture of caffeine and sodium benzoate. It is used for the treatment of acute respiratory depression associated with overdosage of CNS depressant drugs and also used in combination with ergotamine to prevent vascular headaches. It contains a sodium benzoate and a caffeine.

CAS Number8000-95-1
PubChem CID23669229
IUPAC Namesodium;1,3,7-trimethylpurine-2,6-dione;benzoate
Molecular FormulaC15H15N4NaO4
Molecular Weight338.29
Topological Polar Surface Area98.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity401
SMILES
CN1C=NC2=C1C(=O)N(C(=O)N2C)C.C1=CC=C(C=C1)C(=O)[O-].[Na+]
InChI
InChI=1S/C8H10N4O2.C7H6O2.Na/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);/q;;+1/p-1
InChIKey
JWBPVFVNISJVEM-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Sodium caffeine benzoate
CAS: 8000-95-1
CID: 23669229
Formula: C15H15N4NaO4
MW: 338.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight338.29
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass338.09909925
Monoisotopic Mass338.09909925
Topological Polar Surface Area98.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity401
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

Related Products

CatalogName
D36530-01Dimethylaminomethylphenol 50/50 mixture of ortho and para isomers
S05736-01Sodium hydroxide 50% aqueous solution
C00690Caffeine 99%
C00700-01Caffeine citrate
A15730Aloin 50%
M01690-01Manganese benzoate
Z00160-01Zinc benzoate
N04650Nickel benzoate
C00970Calcium Benzoate
B15310Bismuth benzoate

Alternative Products

CatalogName
FC178379-01Caffeine sodium benzoate
40170008-1Acetone:Alcohol, 50:50 Mixture
40220134-1Sodium Hydroxide 50%
5904/50Montelukast sodium 50 mg
RM-D030450-01Diclofenac Sodium Impurity 50
6424/50Sodium Cromoglicate 50 mg
GPC1078-GSodium Hydroxide Solution 50%
RM-P186052-01Parecoxib Sodium Impurity 50
6196/50Brequinar sodium 50 mg
JBS-NU-1048-50GppNHp – Sodium salt (50 mg)

Popular Products