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| CAS No.: | 37091-65-9 |
|---|---|
| Name: | Azlocillin sodium |
| Molecular Structure: | |
|
|
|
| Formula: | C20H22N5NaO6S |
| Molecular Weight: | 483.48 |
| Synonyms: | 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid,3,3-dimethyl-7-oxo-6-[[(2R)-[[(2-oxo-1-imidazolidinyl)carbonyl]amino]phenylacetyl]amino]-,monosodium salt, (2S,5R,6R)- (9CI);4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-[[[[(2-oxo-1-imidazolidinyl)carbonyl]amino]phenylacetyl]amino]-,monosodium salt, [2S-[2a,5a,6b(S*)]]-;Azlin;Azlocillin sodium salt;Monosodium azlocillin;Securopen;Sodium azlocillin; |
| EINECS: | 253-347-7 |
| Flash Point: | >110°(230°F) |
| Solubility: | Freely soluble in water |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 42/43 |
| Safety: | 36 |
| PSA: | 176.28000 |
| LogP: | -0.25410 |
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Chemistry
Molecular Structure of Sodium azlocillin (CAS NO.37091-65-9):
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IUPAC Name: sodium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Empirical Formula: C20H23N5O6S
Molecular Weight: 461.4915
ACD/LogP: -0.34
of Rule of 5 Violations: 1
ACD/LogD (pH 5.5): -3.32
ACD/LogD (pH 7.4): -4.06
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 1
ACD/KOC (pH 7.4): 1
#H bond acceptors: 11
H bond donors: 4
Freely Rotating Bonds: 5
Polar Surface Area: 136.08 Å2
Index of Refraction: 1.696
Molar Refractivity: 114.22 cm3
Molar Volume: 296.6 cm3
Surface Tension: 83.6 dyne/cm
Density: 1.55 g/cm3
EINECS: 253-347-7
Product Categories: Active Pharmaceutical Ingredients; Miscellaneous
InChI
InChI=1/C20H23N5O6S.Na/c1-20(2)13(17(28)29)25-15(27)12(16(25)32-20)22-14(26)11(10-6-4-3-5-7-10)23-19(31)24-9-8-21-18(24)30;/h3-7,11-13,16H,8-9H2,1-2H3,(H,21,30)(H,22,26)(H,23,31)(H,28,29);/q;+1/p-1/t11-,12+,13-,16+;/m1./s1
Smiles
N12[C@H]([C@H](NC([C@@H](c3ccccc3)NC(N3C(NCC3)=O)=O)=O)C2=O)SC([C@H]1C(=O)[O-])(C)C.[Na+]
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intramuscular | 15420mg/kg (15420mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Antibiotiki i Meditsinskaya Biotekhnologiya. Antibiotics and Medical Biotechnology. Vol. 32, Pg. 453, 1987. |
| mouse | LD50 | intraperitoneal | 6690mg/kg (6690mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Antibiotiki i Meditsinskaya Biotekhnologiya. Antibiotics and Medical Biotechnology. Vol. 32, Pg. 453, 1987. |
| mouse | LD50 | intravenous | 5065mg/kg (5065mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT | Antibiotiki i Meditsinskaya Biotekhnologiya. Antibiotics and Medical Biotechnology. Vol. 32, Pg. 453, 1987. |
| rat | LD50 | intravenous | 1793mg/kg (1793mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Antibiotiki i Meditsinskaya Biotekhnologiya. Antibiotics and Medical Biotechnology. Vol. 32, Pg. 453, 1987. |
Safety Profile
Hazard Codes: 
Xn
Risk Statements: 42/43
R42/43:May cause sensitization by inhalation and skin contact.
Safety Statements: 36
S36:Wear suitable protective clothing.
WGK Germany 3
RTECS XH9250000
Specification
The Sodium azlocillin , with CAS number of 37091-65-9, can be called 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((((2-oxo-1-imidazolidinyl)carbonyl)amino)phenylacetyl)amino)-, monosodium salt, (2S-(2alpha,5alpha,6beta(S*)))- ; Azlin ; Azlocillin sodium ; Monosodium azlocillin ; Securopen ; Sodium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-((R)-2-(2-oxo-1-imidazolidinecarboxamido)-2-phenylacetamido)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate .