CAS 61-33-6|Penicillin-G

Introduction:Basic information about CAS 61-33-6|Penicillin-G, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NamePenicillin-G
CAS Number61-33-6Molecular Weight334.390
Density1.4±0.1 g/cm3Boiling Point663.3±55.0 °C at 760 mmHg
Molecular FormulaC16H18N2O4SMelting Point/
MSDS/Flash Point355.0±31.5 °C

Names

Namebenzylpenicillin
SynonymMore Synonyms

Penicillin-G BiologicalActivity

DescriptionPenicillin G is a potent penicillinantibiotic. Penicillin G can be used for bacterial infection[1].
Related CatalogResearch Areas >>Infection
References

[1]. Li D, et al. Determination of penicillin G and its degradation products in a penicillin production wastewater treatment plant and the receiving river. Water Res. 2008 Jan;42(1-2):307-17.

Chemical & Physical Properties

Density1.4±0.1 g/cm3
Boiling Point663.3±55.0 °C at 760 mmHg
Molecular FormulaC16H18N2O4S
Molecular Weight334.390
Flash Point355.0±31.5 °C
Exact Mass334.098724
PSA112.01000
LogP1.67
Appearance of Characterspowder
Vapour Pressure0.0±2.1 mmHg at 25°C
Index of Refraction1.655
InChIKeyJGSARLDLIJGVTE-MBNYWOFBSA-N
SMILESCC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O
Water SolubilityH2O: 100 mg/mL

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH9400000
CHEMICAL NAME :
4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6- (2-phenylacetamido)-
CAS REGISTRY NUMBER :
61-33-6
BEILSTEIN REFERENCE NO. :
0044740
LAST UPDATED :
199612
DATA ITEMS CITED :
24
MOLECULAR FORMULA :
C16-H18-N2-O4-S
MOLECULAR WEIGHT :
334.42
WISWESSER LINE NOTATION :
T45 ANV ESTJ CMV1R& F F GVQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Parenteral
SPECIES OBSERVED :
Human - child
DOSE/DURATION :
15000 units/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Ear) - changes in cochlear structure or function Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
8 gm/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 :
Unreported
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
9 gm/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 :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>5 gm/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 - mouse
DOSE/DURATION :
3500 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 :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
329 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 :
Intracerebral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
5700 ug/kg
TOXIC EFFECTS :
Brain and Coverings - other degenerative changes
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
7800 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 :
Intracerebral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
1118 ug/kg
TOXIC EFFECTS :
Brain and Coverings - other degenerative changes
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
4940 ug/kg
TOXIC EFFECTS :
Brain and Coverings - other degenerative changes
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intracerebral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
653 ug/kg
TOXIC EFFECTS :
Brain and Coverings - other degenerative changes
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
38 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 :
Oral
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
24 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - food intake (animal) Gastrointestinal - hypermotility, diarrhea
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
96 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - food intake (animal) Gastrointestinal - hypermotility, diarrhea
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
104 ku/kg/4D-I
TOXIC EFFECTS :
Blood - changes in other cell count (unspecified) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - dehydrogenases
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
750 units/kg/5D-I
TOXIC EFFECTS :
Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Immunological Including Allergic - decrease in humoral immune response Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - phosphatases
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2600 mg/kg/65W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumors at site of application

MUTATION DATA

TYPE OF TEST :
Mutation test systems - not otherwise specified
TEST SYSTEM :
Microorganism - not otherwise specified
DOSE/DURATION :
20 ug/L
REFERENCE :
AMACCQ Antimicrobial Agents and Chemotherapy. (American Soc. for Microbiology, 1913 I St., NW, Washington, DC 20006) V.1- 1972- Volume(issue)/page/year: 17,572,1980 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 0.1 mg/m3 JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X3134 No. of Facilities: 151 (estimated) No. of Industries: 1 No. of Occupations: 5 No. of Employees: 2695 (estimated) No. of Female Employees: 1750 (estimated)

Safety Information

Hazard CodesXn
Risk PhrasesR42/43
Safety PhrasesS36/37
WGK Germany2
RTECSXH9700000
HS Code32041900

Customs

HS Code32041900

Synonyms

penicillin, benzyl-
cilloral
MFCD00036193
benzyl penicillin
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-, (2S,5R,6R)-
cosmopen
dropcillin
cilopen
abbocillin
[2S-(2a,5a,6b)]-3,3-Dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid
(2S,5R,6R)-6-[(E)-(1-Hydroxy-2-phenylethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Penicillinic acid, benzyl-
galofak
Penicillin II
Pencillin G
pradupen
Ursopen
penicillin G
UNII-Q42T66VG0C
gelacillin
4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-, (2S,5R,6R)-
(2S,5R,6R)-3,3-Dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(1E)-1-hydroxy-2-phenylethylidene]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-
EINECS 204-038-0
pencilling
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