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Basic Information
CAS No.: 113-98-4
Name: Potassium benzylpenicillin
Molecular Structure:
Molecular Structure of 113-98-4 (Potassium benzylpenicillin)
Formula: C16H17KN2O4S
Molecular Weight: 372.486
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;
EINECS: 204-038-0
Density: 1.42 g/cm3
Melting Point: 214-217 °C
Boiling Point: 663.3 °C at 760 mmHg
Flash Point: 355 °C
Solubility: water: 100 mg/mL
Appearance: white powder
Hazard Symbols: HarmfulXn,CorrosiveC,FlammableF
Risk Codes: 42/43-34-11
Safety: 36/37-45-36/37/39-26-16
PSA: 114.84000
LogP: -0.14510
Synthetic route
61-33-6

penicillin G

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%
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

58105-49-0

allyl 2-ethylhexanoate

B

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%
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

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%
113-98-4

Penicillin G potassium

100-11-8

1-bromomethyl-4-nitro-benzene

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;
123-03-5

cetylpyridinium chloride

113-98-4

Penicillin G potassium

934590-94-0

hexadecylpyridinium penicillin G

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

Penicillin G potassium

C16H20N3O4S(1-)*K(1+)

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

1,4-dibromo-butane

113-98-4

Penicillin G potassium

125770-73-2

C36H42N4O8S2

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

Chloromethyl acetate

113-98-4

Penicillin G potassium

983-85-7

Maripen

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

Penicillin G potassium

75-04-7

ethylamine

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%
113-98-4

Penicillin G potassium

100-46-9

benzylamine

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%
Raw Materials
61-33-6
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Chemistry

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

Uses

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

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.

Consensus Reports

EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory.

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

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.