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59703-84-3

Basic Information
CAS No.: 59703-84-3
Name: Piperacillin sodium salt
Article Data: 3
Molecular Structure:
Molecular Structure of 59703-84-3 (Piperacillin sodium salt)
Formula: C23H26N5NaO7S
Molecular Weight: 539.545
Synonyms: 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid,6-[[(2R)-[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]phenylacetyl]amino]-3,3-dimethyl-7-oxo-,monosodium salt, (2S,5R,6R)- (9CI);4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid,6-[[[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]phenylacetyl]amino]-3,3-dimethyl-7-oxo-,monosodium salt, [2S-[2a,5a,6b(S*)]]-;Piperacillin sodium;Piperacillin-Na;Sodium piperacillin;
EINECS: 261-868-6
Density: ==
Melting Point: 183-185 °C (dec.)
Boiling Point: 707.1oC at 760 mmHg
Flash Point: 381.4oC
Solubility: Soluble in ethanol, water and methanol.
Appearance: White to off-white crystalline powder
Hazard Symbols: HarmfulXn
Risk Codes: 42/43
Safety: 22-36/37-45
PSA: 184.56000
LogP: -0.97950
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61477-96-1
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 CAS 59703-84-3

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Chemistry

Structure of Piperacillin sodium salt (CAS NO.59703-84-3):

Molecular Formula: C23H26N5NaO7S
Molar mass: 539.54 g/mol
EINECS: 261-868-6
H bond acceptors: 12
H bond donors: 3
Freely Rotating Bonds: 6
Polar Surface Area: 166.98Å2
Melting point: 183-185 C (dec.)
Storage temp: Store at 0-5°C
Appearance: White to off-white crystalline powder
Solubility: H2O: 50 mg/mL
Product Categories: beta-Lactams; Antibiotics N-SAntibiotics; Chemical Structure Class; L - ZAntibiotics; Mechanism of Action; Antibiotic Explorer; Biochemistry
InChI
InChI=1/C23H27N5O7S.Na/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28;/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34);/q;+1/p-1/t13-,14+,15-,20+;/m1./s1
Smiles
N12[C@H]([C@H](NC([C@@H](c3ccccc3)NC(N3C(C(N(CC)CC3)=O)=O)=O)=O)C2=O)SC(C)(C)[C@H]1C(=O)[O-].[Na+]

Toxicity Data With Reference

dog LD50 intravenous > 6gm/kg (6000mg/kg)   Japanese Journal of Antibiotics. Vol. 36, Pg. 653, 1983.
monkey LD50 intravenous > 4gm/kg (4000mg/kg)   Drugs in Japan Vol. 6, Pg. 634, 1982.
mouse LD50 intraperitoneal 9770mg/kg (9770mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Chemotherapy Vol. 25, Pg. 816, 1977.
mouse LD50 intravenous 4900mg/kg (4900mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Chemotherapy Vol. 25, Pg. 816, 1977.
mouse LD50 oral > 10gm/kg (10000mg/kg)   Drugs in Japan Vol. 6, Pg. 634, 1982.
mouse LD50 subcutaneous > 10gm/kg (10000mg/kg)   Drugs in Japan Vol. 6, Pg. 634, 1982.
rat LD50 intraperitoneal 7600mg/kg (7600mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Chemotherapy Vol. 25, Pg. 816, 1977.
rat LD50 intravenous 2260mg/kg (2260mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 10, Pg. 884, 1979.
rat LD50 oral > 10gm/kg (10000mg/kg)   Drugs in Japan Vol. 6, Pg. 634, 1982.
rat LD50 subcutaneous 8800mg/kg (8800mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 10, Pg. 884, 1979.
rat LD50 unreported 2gm/kg (2000mg/kg)   United States Patent Document. Vol. #4535078,
women TDLo intramuscular 960mg/kg/3D-I (960mg/kg) BLOOD: HEMORRHAGE Southern Medical Journal. Vol. 78, Pg. 363, 1985.
women TDLo intravenous 2180mg/kg/6D- (2180mg/kg) BLOOD: NORMOCYTIC ANEMIA

BLOOD: LEUKOPENIA
Southern Medical Journal. Vol. 79, Pg. 255, 1986.

Safety Profile

Moderately toxic by intravenous route. An experimental teratogen. Human systemic effects: normocytic anemia, leukopenia, hemorrhage. When heated to decomposition it emits toxic fumes of SOx, NOx and Na2O.
Hazard Codes: Xn
Risk Statements: 42/43
R42/43:May cause sensitization by inhalation and skin contact.
Safety Statements: 22-36/37-45
S22:Do not breathe dust. 
S36/37:Wear suitable protective clothing and gloves. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
WGK Germany: 2
RTECS: XI0180000

Specification

  3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one , with CAS number of 59703-84-3, can be called 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid,6-[[[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]phenylacetyl]amino]-3,3-dimethyl-7-oxo-,monosodium salt, [2S-[2a,5a,6b(S*)]]- ; Piperacillin-Na ; PiperacillinSodium/TazobactamSodium . Piperacillin sodium salt (CAS NO.59703-84-3) is the semi-synthetic antibiotics with broad-spectrum antibacterial activity and have good antibacterial activity against Gram-positive and-negative bacteria.