-
Name
sodium [2R-(2alpha,3Z,5alpha)]-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate
- EINECS
- CAS No. 57943-81-4
- Density
- Solubility
- Melting Point
- Formula C8H8NNaO5
- Boiling Point
- Molecular Weight 221.145
- Flash Point
- Transport Information
- Appearance
- Safety Moderately toxic by intraperitoneal route. Mildly toxic by subcutaneous route. When heated to decomposition it emits toxic fumes of NOx and Na2O.
- Risk Codes
-
Molecular Structure
-
Hazard Symbols
- Synonyms EINECS 261-032-0;Clavulanic acid sodium salt;C9H11NO4.Na;Clavulanate sodium;
- PSA 89.90000
- LogP -2.49240
Clavulanic acid sodium salt Chemical Properties
Molecule structure of Clavulanic acid sodium salt (CAS NO.57943-81-4):
IUPAC Name: Sodium (2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate
Molecular Weight: 221.14259 g/mol
Molecular Formula: C8H8NNaO5
Boiling Point: 545.8 °C at 760 mmHg
Flash Point: 283.9 °C
Enthalpy of Vaporization: 94.82 kJ/mol
Vapour Pressure: 3.45E-14 mmHg at 25 °C
H-Bond Donor: 1
H-Bond Acceptor: 5
Rotatable Bond Count: 2
Tautomer Count: 2
Exact Mass: 221.030017
MonoIsotopic Mass: 221.030017
Topological Polar Surface Area: 89.9
Heavy Atom Count: 15
Complexity: 329
Defined Atom StereoCenter Count: 2
Defined Bond StereoCenter Count: 1
Canonical SMILES: C1C2N(C1=O)C(C(=CCO)O2)C(=O)[O-].[Na+]
Isomeric SMILES: C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)[O-].[Na+]
InChI: InChI=1S/C8H9NO5.Na/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4;/h1,6-7,10H,2-3H2,(H,12,13);/q;+1/p-1/b4-1-;/t6-,7-;/m1./s1
InChIKey: WOGMLDNCNBLDCA-JSYANWSFSA-M
Classification Code of Clavulanic acid sodium salt (CAS NO.57943-81-4): Drug / Therapeutic Agent; Natural Product
Clavulanic acid sodium salt Toxicity Data With Reference
| 1. | scu-mus LD50:4500 mg/kg | JANTAJ Journal of Antibiotics. 30 (1977),77-27. | ||
| 2. | ipr-mus LD50:4000 mg/kg | JANTAJ Journal of Antibiotics. 30 (1977),77-27. |
Clavulanic acid sodium salt Safety Profile
Moderately toxic by intraperitoneal route. Mildly toxic by subcutaneous route. When heated to decomposition it emits toxic fumes of NOx and Na2O.
Clavulanic acid sodium salt Specification
Clavulanic acid sodium salt (CAS NO.57943-81-4) is also named as Antibiotic MM 14151 sodium salt ; BRL 14151 ;
EINECS 261-032-0 ; 4-Oxa-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3-(2-hydroxyethylidine)-7-oxo-, sodium salt, (2R-(2-alpha,3Z,5-alpha))- ; Sodium (2R-(2alpha,3Z,5alpha))-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo(3.2.0)heptane-2-carboxylate .
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