Product Name

  • Name

    Potassium benzylpenicillin

  • EINECS 204-038-0
  • CAS No. 113-98-4
  • Article Data3
  • CAS DataBase
  • Density 1.42 g/cm3
  • Solubility water: 100 mg/mL
  • Melting Point 214-217 °C
  • Formula C16H17KN2O4S
  • Boiling Point 663.3 °C at 760 mmHg
  • Molecular Weight 372.486
  • Flash Point 355 °C
  • Transport Information
  • Appearance white powder
  • Safety 36/37-45-36/37/39-26-16
  • Risk Codes 42/43-34-11
  • Molecular Structure Molecular Structure of 113-98-4 (Potassium benzylpenicillin)
  • Hazard Symbols HarmfulXn,CorrosiveC,FlammableF
  • Synonyms 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-, monopotassium salt (8CI);4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-[2S-(2a,5a,6b)]-, monopotassium salt;Penicillin G, potassium salt (7CI);Benzylpenicillin potassium;Benzylpenicillin potassium salt;Benzylpenicillinic acid potassium salt;Cosmopen;Monopen;NSC 131815;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]- (2S,5R,6R)-, potassium salt(1:1);Potassium 2,2-dimethyl-6b-phenylacetamidopenam-3a-carboxylate;Potassium6-(phenylacetamido)penicillanate;Potassiumbenzylpenicillinate;
  • PSA 114.84000
  • LogP -0.14510

Synthetic route

penicillin G
61-33-6

penicillin G

Penicillin G potassium
113-98-4

Penicillin G potassium

Conditions
ConditionsYield
With potassium carbonate In acetic acid butyl ester; water; butan-1-ol at 45 - 48℃; Product distribution / selectivity;94.5%
With potassium carbonate In acetic acid butyl ester; water; butan-1-ol at 50 - 60℃; Product distribution / selectivity;91%
allyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
80127-23-7

allyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

A

allyl 2-ethylhexanoate
58105-49-0

allyl 2-ethylhexanoate

B

Penicillin G potassium
113-98-4

Penicillin G potassium

Conditions
ConditionsYield
With tetrakis(triphenylphosphine) palladium(0); potassium 2-ethylhexanoate; triphenylphosphine In ethyl acetate at 25℃; for 2h;A n/a
B 94%
allyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
80127-23-7

allyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Penicillin G potassium
113-98-4

Penicillin G potassium

Conditions
ConditionsYield
With tetrakis(triphenylphosphine) palladium(0); potassium 2-ethylhexanoate; triphenylphosphine In ethyl acetate at 25℃; for 2h; Product distribution; other penicyllin G allylic esters, allylic carbonates, and carbamates, other solvents;94%
Penicillin G potassium
113-98-4

Penicillin G potassium

1-bromomethyl-4-nitro-benzene
100-11-8

1-bromomethyl-4-nitro-benzene

p-nitrobenzyl benzylpenicillinate
27487-21-4

p-nitrobenzyl benzylpenicillinate

Conditions
ConditionsYield
18-crown-6 ether In acetonitrile for 24h; Ambient temperature;100%
Stage #1: Penicillin G potassium; 1-bromomethyl-4-nitro-benzene In N,N-dimethyl-formamide at 42 - 45℃; for 2h; Large scale;
Stage #2: With acetonyl hydroperoxide at 0 - 5℃; for 2h; Large scale;
Stage #1: Penicillin G potassium; 1-bromomethyl-4-nitro-benzene In N,N-dimethyl-formamide at 20 - 45℃; for 2h; Large scale;
Stage #2: With sulfuric acid In dichloromethane; water at -5 - 0℃; pH=< 5; Large scale;
cetylpyridinium chloride
123-03-5

cetylpyridinium chloride

Penicillin G potassium
113-98-4

Penicillin G potassium

hexadecylpyridinium penicillin G
934590-94-0

hexadecylpyridinium penicillin G

Conditions
ConditionsYield
In water for 0.5h;99%
Penicillin G potassium
113-98-4

Penicillin G potassium

C16H20N3O4S(1-)*K(1+)

C16H20N3O4S(1-)*K(1+)

Conditions
ConditionsYield
With ammonium hydroxide at 20℃; for 4h;97%
1,4-dibromo-butane
110-52-1

1,4-dibromo-butane

Penicillin G potassium
113-98-4

Penicillin G potassium

C36H42N4O8S2
125770-73-2

C36H42N4O8S2

Conditions
ConditionsYield
In N,N-dimethyl-formamide for 24h;96.7%
Chloromethyl acetate
625-56-9

Chloromethyl acetate

Penicillin G potassium
113-98-4

Penicillin G potassium

Maripen
983-85-7

Maripen

Conditions
ConditionsYield
In dimethyl sulfoxide for 20h; Ambient temperature;95%
Penicillin G potassium
113-98-4

Penicillin G potassium

ethylamine
75-04-7

ethylamine

<2R-<2α(R*),4β>>-2-<2-(ethylamino)-2-oxo-1-<(phenylacetyl)amino>ethyl>-5,5-dimethyl-4-thiazolidinecarboxylic acid
66317-01-9

<2R-<2α(R*),4β>>-2-<2-(ethylamino)-2-oxo-1-<(phenylacetyl)amino>ethyl>-5,5-dimethyl-4-thiazolidinecarboxylic acid

Conditions
ConditionsYield
In water for 3.5h; Ambient temperature;95%
Penicillin G potassium
113-98-4

Penicillin G potassium

benzylamine
100-46-9

benzylamine

<2R-<2α(R*),4β>>-5,5-dimethyl-2-<2-oxo-1-<(phenylacetyl)amino>-2-<(phenylmethyl)amino>ethyl>-4-thiazolidinecarboxylic acid
66317-00-8

<2R-<2α(R*),4β>>-5,5-dimethyl-2-<2-oxo-1-<(phenylacetyl)amino>-2-<(phenylmethyl)amino>ethyl>-4-thiazolidinecarboxylic acid

Conditions
ConditionsYield
In water for 3.5h; Ambient temperature;95%
2,3-Dichloroprop-1-ene
78-88-6

2,3-Dichloroprop-1-ene

Penicillin G potassium
113-98-4

Penicillin G potassium

2-chloro-2-propenyl (3S,5R,6R)-2,2-dimethyl-6-(phenylacetamido)-7-oxopenam-3-carboxylate
76627-82-2

2-chloro-2-propenyl (3S,5R,6R)-2,2-dimethyl-6-(phenylacetamido)-7-oxopenam-3-carboxylate

Conditions
ConditionsYield
With sodium iodide In N,N-dimethyl-formamide at 25℃; for 20h;94%
Penicillin G potassium
113-98-4

Penicillin G potassium

aniline
62-53-3

aniline

benzylpenicilloic acid α-anilide
121766-90-3

benzylpenicilloic acid α-anilide

Conditions
ConditionsYield
In water for 3.5h; Ambient temperature;94%
1 ,6-dibromohexane
629-03-8

1 ,6-dibromohexane

Penicillin G potassium
113-98-4

Penicillin G potassium

C38H46N4O8S2
125770-75-4

C38H46N4O8S2

Conditions
ConditionsYield
In N,N-dimethyl-formamide for 24h;93.7%
Penicillin G potassium
113-98-4

Penicillin G potassium

phenethylamine
64-04-0

phenethylamine

benzylpenicilloic acid α-phenylethylamide
121766-89-0

benzylpenicilloic acid α-phenylethylamide

Conditions
ConditionsYield
In water for 3.5h; Ambient temperature;93%
Penicillin G potassium
113-98-4

Penicillin G potassium

Penicillin G 1-(s)-oxide
4052-54-4

Penicillin G 1-(s)-oxide

Conditions
ConditionsYield
Stage #1: Penicillin G potassium With peracetic acid In water at 0 - 5℃; for 3h; pH=3.6; Large scale;
Stage #2: With sulfuric acid In water at 0 - 5℃; pH=1.6; pH-value; Time; Large scale;		92.45%
With Octanoic acid; dihydrogen peroxide In acetonitrile at -20℃; for 6h; immobilized Candida antarctica lipase;75%
With sodium periodate
Multi-step reaction with 3 steps
1: dimethylformamide / Ambient temperature
2: NaIO4 / dioxane
3: H2 / Pd-C / ethyl acetate / 760 Torr
View Scheme
With peracetic acid In ethyl acetate for 4h;
Penicillin G potassium
113-98-4

Penicillin G potassium

ethylene dibromide
106-93-4

ethylene dibromide

2-bromoethyl benzylpenicillinate
81651-24-3

2-bromoethyl benzylpenicillinate

Conditions
ConditionsYield
In N,N-dimethyl-formamide for 24h;92%
1,4-bis(bromomethyl)benzene
623-24-5

1,4-bis(bromomethyl)benzene

Penicillin G potassium
113-98-4

Penicillin G potassium

C40H42N4O8S2
125770-77-6

C40H42N4O8S2

Conditions
ConditionsYield
In N,N-dimethyl-formamide for 24h;90.2%
ethyl bromide
74-96-4

ethyl bromide

Penicillin G potassium
113-98-4

Penicillin G potassium

benzylpenicillin-ethyl ester
41683-38-9

benzylpenicillin-ethyl ester

Conditions
ConditionsYield
18-crown-6 ether In acetonitrile for 48h; Ambient temperature;90%
Penicillin G potassium
113-98-4

Penicillin G potassium

allyl bromide
106-95-6

allyl bromide

allyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
80127-23-7

allyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Conditions
ConditionsYield
18-crown-6 ether In acetonitrile for 48h; Ambient temperature;90%
With sodium iodide In N,N-dimethyl-formamide at 25℃; for 20h;
With 18-crown-6 ether In N,N-dimethyl-formamide at 20℃; for 24h;
Penicillin G potassium
113-98-4

Penicillin G potassium

thiophenol
108-98-5

thiophenol

S-phenyl benzylpenicillinthiocarboxylate
69578-02-5

S-phenyl benzylpenicillinthiocarboxylate

Conditions
ConditionsYield
With pyridine In chloroform at 0℃; for 5h;88%
With potassium carbonate In 1,2-dimethoxyethane Ambient temperature;
1,1-Diphenylmethanol
91-01-0

1,1-Diphenylmethanol

Penicillin G potassium
113-98-4

Penicillin G potassium

diphenylmethyl 6β-(2-phenylacetamido)penicillanate
67565-52-0

diphenylmethyl 6β-(2-phenylacetamido)penicillanate

Conditions
ConditionsYield
With pyridine; isocyanuric acid In dichloromethane at -10 - -5℃; for 1h;85.7%
With pyridine; methanesulfonyl chloride In dichloromethane at 10 - 15℃; for 5h;
Penicillin G potassium
113-98-4

Penicillin G potassium

benzylpenicillin 1,1-dioxide
18598-31-7

benzylpenicillin 1,1-dioxide

Conditions
ConditionsYield
With potassium permanganate; phosphoric acid In water at 0 - 10℃; for 1h; pH mantained at 7.2 with 2percent NaOH;85%
Multi-step reaction with 3 steps
1: dimethylformamide / Ambient temperature
2: aq. KMnO4, H2O2 / acetic acid
3: H2 / Pd-C / methanol / 2585.7 Torr
View Scheme
Penicillin G potassium
113-98-4

Penicillin G potassium

benzyl bromide
100-39-0

benzyl bromide

benzyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
1254-56-4

benzyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 20℃; for 2h;84%
In N,N-dimethyl-formamide Ambient temperature;
In N,N-dimethyl-formamide at 20℃; for 2h;1.7 g
Penicillin G potassium
113-98-4

Penicillin G potassium

H3N*C16H21N3O4S

H3N*C16H21N3O4S

Conditions
ConditionsYield
With ammonium hydroxide at 20℃; for 1h;83%
L-phenylalanine tert-butyl ester
16874-17-2

L-phenylalanine tert-butyl ester

Penicillin G potassium
113-98-4

Penicillin G potassium

(S)-tert-butyl-2-((2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamido)-3-phenylpropanoate
1537179-00-2

(S)-tert-butyl-2-((2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamido)-3-phenylpropanoate

Conditions
ConditionsYield
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 1h; Inert atmosphere;80%
Penicillin G potassium
113-98-4

Penicillin G potassium

chloroformic acid ethyl ester
541-41-3

chloroformic acid ethyl ester

benzylpenicillin-(carbonic acid ethyl ester)-anhydride
19870-47-4

benzylpenicillin-(carbonic acid ethyl ester)-anhydride

Conditions
ConditionsYield
With triethylamine hydrochloride In dichloromethane at -78℃; for 1h;76%
Penicillin G potassium
113-98-4

Penicillin G potassium

N,N-didecyl-N,N-dimethylammonium bromide
2390-68-3

N,N-didecyl-N,N-dimethylammonium bromide

didecyldimethylammonium penicillin G
934590-93-9

didecyldimethylammonium penicillin G

Conditions
ConditionsYield
In water for 0.5h;76%
Penicillin G potassium
113-98-4

Penicillin G potassium

1ξ-oxo-6β-(2-phenyl-acetylamino)-1λ4-penicillanic acid; potassium salt
39906-59-7

1ξ-oxo-6β-(2-phenyl-acetylamino)-1λ4-penicillanic acid; potassium salt

Conditions
ConditionsYield
With (NH4)6Mo7O40; dihydrogen peroxide In water at 20℃; for 0.75h; Product distribution; various catalysts and temperatures, different substrates;75%
With (NH4)6Mo7O40; dihydrogen peroxide In water at 20℃; for 0.75h;75%
Penicillin G potassium
113-98-4

Penicillin G potassium

4-bromomethyl-1,3-dioxa-5-phenyl-cyclopenten-2-one
80715-20-4

4-bromomethyl-1,3-dioxa-5-phenyl-cyclopenten-2-one

(2-oxo-5-phenyl-1,3-dioxolen-4-yl)methyl 6-aminopenicillanate hydrochloride

(2-oxo-5-phenyl-1,3-dioxolen-4-yl)methyl 6-aminopenicillanate hydrochloride

Conditions
ConditionsYield
74%

Potassium benzylpenicillin Chemical Properties

Detail of BENZYLPENICILLINIC ACID POTASSIUM SALT(113-98-4).
Molecular Structure:

Name:PENICILLIN G POTASSIUM CRUDE
CAS Number:113-98-4
Molecular Formula:C16H17N2O4S.K
Molecular Weight:372. 48
EINECS:204-038-0
Density:1.42g/cm3
Melting Point:Decpmposes
Boiling Point:663.3°C at 760 mmHg
Flash Point:355°C
Appearance:white to off-white crystalline powder
liansport Information:20kgs
storage temp.:2-8°C
solubility:H2O: 100 mg/mL 
Merck:7094
Synonyms of BENZYLPENICILLINIC ACID POTASSIUM SALT(113-984): falapen;forpen;hipercilina;hyasorb; hylenta;megacillintablets; monopen; monopotassiumsalt

Potassium benzylpenicillin Uses

BENZYLPENICILLINIC ACID POTASSIUM SALT(113-98-4) can be used as an efficient low toxicity of antibiotics.

Potassium benzylpenicillin Toxicity Data With Reference

1.   

spm-rat-unr 200 mg/kg/8D

   JOURAA    Journal of Urology. 112 (1974),348.
2.   

orl-rat LD50:6700 mg/kg

   AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 123 (1960),295.
3.   

scu-rat LD50:11,250 mg/kg

   TXAPA9    Toxicology and Applied Pharmacology. 9 (1966),445.
4.   

ivn-rat LD50:243 mg/kg ABANAE 3,534,55/56

5.   

orl-mus LD50:6257 mg/kg

   AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 125 (1960),83.
6.   

ivn-mus LD50:240 mg/kg ABANAE 3,534,55/56

7.   

ice-mus LDLo:2 mg/kg

   PLMEAA    Planta Medica. 49 (1983),103.
8.   

orl-rbt LD50:5848 mg/kg

   ANTCAO    Antibiotics and Chemotherapy. 10 (1960),376.
9.   

orl-gpg LDLo:1 g/kg

   ANTCAO    Antibiotics and Chemotherapy. 5 (1955),463.
10.   

ipr-gpg LDLo:500 mg/kg

   ANTCAO    Antibiotics and Chemotherapy. 5 (1955),463.
11.   

ivn-gpg LD50:303 mg/kg

   RPOBAR    Research Progress in Organic Biological and Medicinal Chemistry. 2 (1970),306.

Potassium benzylpenicillin Consensus Reports

EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory.

Potassium benzylpenicillin Safety Profile

Poison by intracerebral and intravenous routes. Moderately toxic by intraperitoneal route. Mutation data reported. See other penicillin entries. When heated to decomposition it emits toxic fumes of NOx and SOx.
Safety Information of BENZYLPENICILLINIC ACID POTASSIUM SALT(113-98-4).
Hazard Codes:Xn,C,F
Risk Statements:42/43-34-11
Safety Statements:36/37-45-36/37/39-26-16
WGK Germany:2
RTECS:XH9700000
F:10-23

Potassium benzylpenicillin Specification

Stability and Reactivity of BENZYLPENICILLINIC ACID POTASSIUM SALT(113-98-4).
Incompatibilities:Oxidizing agents, heavy metal salts, acids.
Stability:Stable under normal temperatures and pressures.
Decomposition:Irritating and toxic fumes and gases.
Handling and Storage of BENZYLPENICILLINIC ACID POTASSIUM SALT(113-98-4).
Storage:Store in a cool place in the original container and protect from sunlight. Keep container closed when not in use.
Handling:Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
First Aid Measures of BENZYLPENICILLINIC ACID POTASSIUM SALT(113-98-4).
Ingestion:Never give anything by mouth to an unconscious person. Get medical aid. If conscious drink water, then induce vomiting. If unconscious, immediately take victim to a physician and do NOT attempt to induce vomiting.
Inhalation:Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Skin:Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists. Wash clothing before reuse.
Eyes:Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.

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