Sulbactam sodium
- Iupac Name：sodium;(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
- CAS No.: 69388-84-7
- Molecular Weight：255.22
- Modify Date.: 2022-11-12 05:58
- Introduction: A semi-synthetic β-lactamase inhibitor. It is used in combination with β-lactam antibiotics as antibacterial.
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1. Names and Identifiers
- 1.1 Name
- Sulbactam sodium
- 1.2 Synonyms
(2S-cis)-3,3-Dimethyl-7-oxo-4-thia-1-azabicyclo[3,2,0]heptane-2-carboxylic acid 4,4-dioxide sodium salt 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 3,3-dimethyl-7-oxo-, 4,4-dioxide, sodium salt, (2S,5R)- (9CI) Antibiotic medicine CAS 69388-84-7 veterinary sulbactam sodium EINECS 273-984-4 MFCD01750374 penicillanic acid 1,1-dioxide sodium salt sodium (2s-cis)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide sodium Penicillanate 1,1-Dioxide SODIUM SULBACTAM SulbactaM SodiuM API SULBACTAM SODIUM SALT SulbactaM SodiuM,USP sulbacyam sodium Sulbatam Sodium
- 1.3 CAS No.
- 69388-84-7
- 1.4 CID
- 23663973
- 1.5 EINECS(EC#)
- 273-984-4
- 1.6 Molecular Formula
- C8H10NNaO5S (isomer)
- 1.7 Inchi
- InChI=1S/C8H11NO5S.Na/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14;/h5-6H,3H2,1-2H3,(H,11,12);/q;+1/p-1/t5-,6+;/m1./s1
- 1.8 InChkey
- NKZMPZCWBSWAOX-IBTYICNHSA-M
- 1.9 Canonical Smiles
- CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)[O-])C.[Na+]
- 1.10 Isomers Smiles
- CC1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)[O-])C.[Na+]
2. Properties
- 2.1 Melting point
- 262-267°C
- 2.1 Boiling point
- 567.7oC at 760 mmHg
- 2.1 Flash Point
- 297.1oC
- 2.1 Precise Quality
- 255.01800
- 2.1 PSA
- 102.96000
- 2.1 logP
- -1.11100
- 2.1 Appearance
- White or off-white crystalline powder
- 2.2 Storage
- -20°C Freezer, Under Inert Atmosphere
- 2.3 Chemical Properties
- White Solid
- 2.4 Water Solubility
- Freely soluble in water, sparingly soluble in ethyl acetate, very slightly soluble in ethanol (96 per cent). It is freely soluble in dilute acids.
- 2.5 StorageTemp
- -20°C Freezer, Under Inert Atmosphere
3. Use and Manufacturing
- 3.1 GHS Classification
- Signal: Danger
GHS Hazard Statements
Aggregated GHS information provided by 20 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
H317 (15%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H334 (15%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
H373 (85%): Causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.
Precautionary Statement Codes
P260, P261, P272, P280, P285, P302+P352, P304+P341, P314, P321, P333+P313, P342+P311, P363, and P501
4. Safety and Handling
- 4.1 Hazard Codes
- Xn
- 4.1 Risk Statements
- R42/43
- 4.1 Safety Statements
- 22-24-36/37-45
- 4.1 Safety Profile
- Poison by intravenous route. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx and SOx Sulbactam sodium Preparation Products And Raw materials Raw materials
- 4.2 WGK Germany
- 3
- 4.2 Safety
-
Safety Information of?Penicillanic acid sulfone sodium salt (CAS NO.69388-84-7)
Hazard Codes:Xn 
Risk Statements:42/43
42/43:May cause sensitization by inhalation and skin contact??
Safety Statements:22-24-36/37-45
22:Do not breathe dust??
24:Avoid contact with skin?
36/37:Wear suitable protective clothing and gloves?
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
Poison by intravenous route. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx and SOx.
- 4.3 Toxicity
-
| Organism |
Test Type |
Route |
Reported Dose (Normalized Dose) |
Effect |
Source |
| mouse |
LD50 |
intraperitoneal |
> 6gm/kg (6000mg/kg) |
SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) |
Chemotherapy Vol. 32(Suppl, |
| mouse |
LD50 |
intravenous |
8100ug/kg (8.1mg/kg) |
? |
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 17, Pg. 1106, 1986. |
| mouse |
LD50 |
subcutaneous |
> 6gm/kg (6000mg/kg) |
SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) |
Chemotherapy Vol. 32(Suppl, |
| rat |
LD50 |
intraperitoneal |
> 6gm/kg (6000mg/kg) |
SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) |
Chemotherapy Vol. 32(Suppl, |
| rat |
LD50 |
intravenous |
6500mg/kg (6500mg/kg) |
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION |
Chemotherapy Vol. 32(Suppl, |
| rat |
LD50 |
subcutaneous |
> 6gm/kg (6000mg/kg) |
SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) |
Chemotherapy Vol. 32(Suppl, |
5. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Specific target organ toxicity \u2013 repeated exposure, Category 2
2.2 GHS label elements, including precautionary statements
| Pictogram(s) |  |
| Signal word | Warning |
| Hazard statement(s) | H373 May cause damage to organs through prolonged or repeated exposure |
| Precautionary statement(s) | |
| Prevention | P260 Do not breathe dust/fume/gas/mist/vapours/spray. |
| Response | P314 Get medical advice/attention if you feel unwell. |
| Storage | none |
| Disposal | P501 Dispose of contents/container to ... |
2.3 Other hazards which do not result in classification
none
7. Synthesis Route
69388-84-7Total: 2 Synthesis Route
9. Other Information
- 9.0 体外研究
-
Ampicillin-Sulbactam has a wide range of antibacterial activity that includes Gram-positive and Gram-negative aerobic and anaerobic bacteria.
- 9.1 Description
- Sulbactam sodium is a parenterally-active, β-lactamase inhibitor recently introduced as a 1: 1 combination product with cefoperazone. Like clavulanic acid, the first agent of this type to b e introduced, sulbactam enhances the effectiveness of β-lactam antibiotics against resistant strains.
- 9.2 Chemical Properties
- White Solid
- 9.3 Originator
- Pfizer (USA)
- 9.4 Uses
- A semi-synthetic β-lactamase inhibitor. It is used in combination with β-lactam antibiotics as antibacterial.
- 9.5 Manufacturing Process
- Sulbactam sodium is semi-synthetic antibiotic of penicillinic group. Start material for it's synthesis is 6-aminopenicillanic acid. First 6-aminopenicillanic acid was isolated in 1957 year from benzylpenicilline as resalt of treating of it by penicillinaze. Benzylpenicilline is produced by microorganism of genus Streptomyces.
Further, 6-aminopenicillanic acid reacted with bromine, hydrochloric acid and NaNO2. As a result the 6,6-dibromopenicillanic acid was obtained.
6,6-Dibromopenicillanic acid was oxidized by KMnO4, to give 6,6-dibromo-1,1-The 6,6-dibromo-1,1-dioxopenicillanic acid in presence of Fe was converted to the 1,1-dioxopenicillanic acid (sulbactam acid). The sulbactam acid was treated by sodium 2-ethylhexanoate and crude sulbactam sodium was obtained.
- 9.6 Brand name
- SULPERAZONE
- 9.7 Therapeutic Function
- Beta-lactamase inhibitor
- 9.8 Safety Profile
- Poison by intravenous route. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx and SOx
10. Computational chemical data
- Molecular Weight: 255.22g/mol
- Molecular Formula: C8H10NNaO5S
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 255.01773788
- Monoisotopic Mass: 255.01773788
- Complexity: 452
- Rotatable Bond Count: 1
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Topological Polar Surface Area: 103
- Heavy Atom Count: 16
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 2
- CACTVS Substructure Key Fingerprint: AAADccByOCBAAAAAAAAAAAAAAABYAWAAAAAAAAAABYAAAAAAAAAAHgQAAAAADCjFwASCCAMAAAoIAAGQGHBIAABAABAAAAGIAAACABggACAEAAAEBgCwAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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