61-33-6
Product Name:
Penicillin G
Formula:
C16H18N2O4S
Synonyms:
(2S,5R,6R)-3,3-Dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;Benzylpenicillin
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | AMORPHOUS WHITE POWDER |
| Melting Point | 214-217 °C |
| Solubility | Slightly soluble (210 mg/L) |
| Density | MP 106-110 °C (WITH DECOMPOSITION); DENSITY 1.255-1.256; AQ SOLN ARE DEXTROROTATORY; SOLUBILITIES @ 28 °C: 6.8 MG/ML IN WATER, GREATER THAN 20 MG/ML IN METHANOL, 0.075 MG/ML IN BENZENE, 1.05 IN TOLUENE /PENICILLIN G PROCAINE/ |
| LogP | 1.83 |
| Stability/Shelf Life | Solutions of the drugs retain substantially full potency for several days when stored @ a temp less than 15 °C, but are rapidly inactivated in the presence of acids, alkali hydroxides, glycerin, or oxidizing agents. /Penicillin G potassium or sodium/ |
| Optical Rotation | SPECIFIC OPTICAL ROTATION: +269 DEG @ 20 °C/D (METHANOL SOLN 50 ML, PREPD FROM 350 MG BENZYLPENICILLIN SODIUM) |
| pH | Saturated aqueous solution: 5-7.5 /Penicillin G procaine/ |
| Ionization Efficiency | Positive |
| Dissociation Constants | 2.72 |
| Collision Cross Section | 176.6 Ų [M+H]+ [CCS Type: TW, Method: calibrated with Waters Major Mix] |
| Other Experimental Properties | DENSITY 1.41; SPECIFIC OPTICAL ROTATION: +301 DEG @ 24.8 °C/D (2%); VERY SOL IN WATER, ISOTONIC NACL SOLN, GLUCOSE SOLN; SOL IN ALCOHOL, GLYCEROL; PRACTICALLY INSOL IN ACETONE, ETHER, CHLOROFORM, ETHYL & AMYL ACETATE; INSOL IN FIXED OILS & IN LIQUID PETROLATUM /PENICILLIN G SODIUM/ |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H317:Sensitisation, Skin |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P272:Contaminated work clothing should not be allowed out of the workplace. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P333+P313:IF SKIN irritation or rash occurs: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 334.4 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 334.09872823 g/mol |
| Monoisotopic Mass | 334.09872823 g/mol |
| Topological Polar Surface Area | 112 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 530 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Benzylpenicillin is a penicillin in which the substituent at position 6 of the penam ring is a phenylacetamido group. It has a role as an antibacterial drug, an epitope and a drug allergen. It is a penicillin allergen and a penicillin. It is a conjugate acid of a benzylpenicillin(1-).