IUPAC Name: sodium 4-(benzylsulfonylamino)benzoate
Molecular Formula: C14H12NNaO4S
Molecular Weight: 313.304150 g/mol
Canonical SMILES: C1=CC=C(C=C1)CS(=O)(=O)NC2=CC=C(C=C2)C(=O)[O-].[Na+]
InChI: InChI=1S/C14H13NO4S.Na/c16-14(17)12-6-8-13(9-7-12)15-20(18,19)10-11-4-2-1-3-5-11;/h1-9,15H,10H2,(H,16,17);/q;+1/p-1
Mol File: 64050-44-8.mol
H-Bond Donor: 1
H-Bond Acceptor: 5
Rotatable Bond Count: 3
Exact Mass: 313.038473
MonoIsotopic Mass: 313.038473
Topological Polar Surface Area: 86.3
Heavy Atom Count: 21
Complexity: 421
Classification Code: Drug / Therapeutic Agent
Flash Point: 261.6 °C
Enthalpy of Vaporization: 82.07 kJ/mol
Boiling Point: 509 °C at 760 mmHg
Vapour Pressure of Benzoic acid, p-alpha-toluenesulfonamido-, sodium salt (CAS NO.64050-44-8): 3.48E-11 mmHg at 25 °C
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LD50 | intravenous | 1693mg/kg (1693mg/kg) | SENSE ORGANS AND SPECIAL SENSES: MIOSIS (PUPILLARY CONSTRICTION): EYE GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" GASTROINTESTINAL: NAUSEA OR VOMITING | Journal of Pharmacology and Experimental Therapeutics. Vol. 91, Pg. 263, 1947. |
mouse | LD50 | intravenous | 1300mg/kg (1300mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Journal of Pharmacology and Experimental Therapeutics. Vol. 91, Pg. 263, 1947. |
mouse | LD50 | oral | 2450mg/kg (2450mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Journal of Pharmacology and Experimental Therapeutics. Vol. 91, Pg. 263, 1947. |
mouse | LD50 | subcutaneous | 1650mg/kg (1650mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Journal of Pharmacology and Experimental Therapeutics. Vol. 91, Pg. 263, 1947. |
rabbit | LD50 | intravenous | 1419mg/kg (1419mg/kg) | SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE BEHAVIORAL: MUSCLE WEAKNESS | Journal of Pharmacology and Experimental Therapeutics. Vol. 91, Pg. 263, 1947. |
Moderately toxic by ingestion, subcutaneous, and intravenous routes. When heated to decomposition Benzoic acid, p-alpha-toluenesulfonamido-, sodium salt (CAS NO.64050-44-8) emits very toxic fumes of SOx, Na2O, and NOx.
Benzoic acid, p-alpha-toluenesulfonamido-, sodium salt (CAS NO.64050-44-8) can be called 4'-Carboxyphenylmethanesulfonanilide, sodium salt .
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