CAS No.23795-03-1,4-[(Dipropylamino)sulfonyl]benzoic acid sodium salt Suppliers

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Basic Information

Molecular Structure:
CAS No.:	23795-03-1
Name:	4-[(Dipropylamino)sulfonyl]benzoic acid sodium salt

Formula:	C₁₃H₁₉NO₄S. Na
Molecular Weight:	307.37
Synonyms:	Benzoicacid, 4-[(dipropylamino)sulfonyl]-, sodium salt (9CI);Benzoic acid,p-(dipropylsulfamoyl)-, sodium salt (8CI);Probenecid sodium;Probenecid sodiumsalt;Sodium probenecid;
Boiling Point:	438 °C at 760 mmHg
Flash Point:	218.7 °C
Appearance:	white crystalline powder
PSA:	85.89000
LogP:	1.94160

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Specification

The p-(Dipropylsulfamoyl)benzoic acid, sodium salt, with its CAS registry number 23795-03-1, has the IUPAC name of sodium 4-(dipropylsulfamoyl)benzoate.

The characteristics of this chemical are as below: (1)ACD/LogP: 3.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.5; (4)ACD/LogD (pH 7.4): 0.26; (5)ACD/BCF (pH 5.5): 3.03; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.74; (8)ACD/KOC (pH 7.4): 1.34; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 83.06; (13)Flash Point: 218.7 °C; (14)Enthalpy of Vaporization: 73.22 kJ/mol; (15)Boiling Point: 438 °C at 760 mmHg; (16)Vapour Pressure: 1.91E-08 mmHg at 25°C; (17)Exact Mass: 307.085423; (18)MonoIsotopic Mass: 307.085423; (19)Topological Polar Surface Area: 85.9; (20)Heavy Atom Count: 20; (21)Complexity: 380.

Additionally, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)[O-].[Na+]
(2)InChI: InChI=1S/C13H19NO4S.Na/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16;/h5-8H,3-4,9-10H2,1-2H3,(H,15,16);/q;+1/p-1
(3)InChIKey: QCCCFHDTBTUDEA-UHFFFAOYSA-M

Below are the toxicity information of this chemical:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD50	intravenous	270mg/kg (270mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: TETANY LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Journal of Pharmacology and Experimental Therapeutics. Vol. 102, Pg. 208, 1951.
man	TDLo	oral	630mg/kg/6W (630mg/kg)	KIDNEY, URETER, AND BLADDER: PROTEINURIS KIDNEY, URETER, AND BLADDER: CHANGES PRIMARILY IN GLOMERULI	Archives of Pathology. Vol. 94, Pg. 241, 1972.
mouse	LD50	intravenous	458mg/kg (458mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BEHAVIORAL: TETANY	Journal of Pharmacology and Experimental Therapeutics. Vol. 102, Pg. 208, 1951.
mouse	LD50	oral	1666mg/kg (1666mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: TETANY LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Journal of Pharmacology and Experimental Therapeutics. Vol. 102, Pg. 208, 1951.
mouse	LD50	subcutaneous	1156mg/kg (1156mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: TETANY LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Journal of Pharmacology and Experimental Therapeutics. Vol. 102, Pg. 208, 1951.
rabbit	LD50	intravenous	304mg/kg (304mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: TETANY LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Journal of Pharmacology and Experimental Therapeutics. Vol. 102, Pg. 208, 1951.
rat	LD50	intraperitoneal	394mg/kg (394mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: TETANY LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Journal of Pharmacology and Experimental Therapeutics. Vol. 102, Pg. 208, 1951.
rat	LD50	oral	1604mg/kg (1604mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: TETANY LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Journal of Pharmacology and Experimental Therapeutics. Vol. 102, Pg. 208, 1951.
rat	LD50	subcutaneous	611mg/kg (611mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: TETANY LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Journal of Pharmacology and Experimental Therapeutics. Vol. 102, Pg. 208, 1951.