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113-98-4

113-98-4 structure
113-98-4 structure
Name benzylpenicillin potassium
Synonyms Benzyl Penicillinate Potassium Salt
MFCD00036193
Benzylpenicillinic acid potassium salt
Forpen
Potassium (1E)-N-[(2S,5R,6R)-2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl]-2-phenylethanimidate
Benzylpenicillin potassium
Potassium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Tabilin
Hipercilina
Hyasorb
Penicillin G potassium
Benzylpenicillin Potassium Salt
Monopen
Eskacillin
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(1E)-1-hydroxy-2-phenylethylidene]amino]-3,3-dimethyl-7-oxo-, potassium salt, (2S,5R,6R)- (1:1)
[2S-(2a,5a,6b)]-3,3-Dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid Monopotassium Salt
POTASSIUM PENICILLIN G
Hylenta
Notaral
4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-, monopotassium salt, (2S,5R,6R)-
Pentid
Potassium benzylpenicillinate
potassium,(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
EINECS 204-038-0
Scotcil
Penicillin G potassium salt
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-, potassium salt, (2S,5R,6R)- (1:1)
Penicillin G (potassium)
Melting Point 214-217 ℃
Molecular Formula C16H17KN2O4S
Molecular Weight 372.480
Exact Mass 372.054596
PSA 114.84000
Index of Refraction 294 ° (C=1， H2O)

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH9700000
CHEMICAL NAME :
4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6- (2-phenylacetamido)-, monopotassium salt
CAS REGISTRY NUMBER :
113-98-4
LAST UPDATED :
199707
DATA ITEMS CITED :
21
MOLECULAR FORMULA :
C16-H17-N2-O4-S.K
MOLECULAR WEIGHT :
372.51
WISWESSER LINE NOTATION :
T45 ANV ESTJ CMV1R& F1 F1 GVQ &-KA-

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
8900 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - other changes
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
11250 mg/kg
TOXIC EFFECTS :
Gastrointestinal - hypermotility, diarrhea
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
243 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - other changes
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - other changes
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
6257 mg/kg
TOXIC EFFECTS :
Behavioral - excitement
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - other changes
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
240 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - other changes
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - other changes
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intracerebral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
5848 mg/kg
TOXIC EFFECTS :
Behavioral - hallucinations, distorted perceptions Lungs, Thorax, or Respiration - respiratory depression Nutritional and Gross Metabolic - body temperature decrease
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
382 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - ulceration or bleeding from stomach
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
374 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - other changes
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
303 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
1180 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - other changes
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
312 mg/kg/14W-I
TOXIC EFFECTS :
Gastrointestinal - changes in pancreatic weight Kidney, Ureter, Bladder - changes in bladder weight Related to Chronic Data - death

MUTATION DATA

TEST SYSTEM :
Rodent - rat
DOSE/DURATION :
200 mg/kg/8D
REFERENCE :
JOURAA Journal of Urology. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1917- Volume(issue)/page/year: 112,348,1974 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 81952 No. of Facilities: 1261 (estimated) No. of Industries: 2 No. of Occupations: 3 No. of Employees: 3510 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 81952 No. of Facilities: 504 (estimated) No. of Industries: 3 No. of Occupations: 10 No. of Employees: 27005 (estimated) No. of Female Employees: 20458 (estimated)
Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H317
Precautionary Statements P280
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard Codes Xn
Risk Phrases 42/43-34-11
Safety Phrases 36/37-45-36/37/39-26-16
RIDADR NONH for all modes of transport
WGK Germany 2
RTECS XH9700000
HS Code 2941109900
61-33-6 structure

61-33-6

~96%

113-98-4 structure

113-98-4

Literature: WO2007/63107 A1, ; Page/Page column 7-8 ;
80127-23-7 structure

80127-23-7

~94%

58105-49-0 structure

58105-49-0

113-98-4 structure

113-98-4

Literature: Journal of Organic Chemistry, , vol. 47, # 3 p. 587 - 590
80127-23-7 structure

80127-23-7

~93%

113-98-4 structure

113-98-4

Literature: Journal of Organic Chemistry, , vol. 47, # 3 p. 587 - 590
HS Code 2941109900
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