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Sulfamerazine sodium

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Name

Sulfamerazine sodium

EINECS 204-851-0
CAS No. 127-58-2 Density N/A
PSA 97.56000 LogP 2.68880
Solubility Soluble in DMSO or water Melting Point 216-219 °C
Formula C11H11N4NaO2S Boiling Point 519.1 °C at 760 mmHg
Molecular Weight 287.32 Flash Point 267.8 °C
Transport Information N/A Appearance N/A
Safety 7-24-45-36-26 Risk Codes 20/22-36/38-36/37/38
Molecular Structure Molecular Structure of 127-58-2 (Sulfamerazine sodium) Hazard Symbols HarmfulXn, IrritantXi
Synonyms

Benzenesulfonamide,4-amino-N-(4-methyl-2-pyrimidinyl)-, monosodium salt (9CI);Sodium,[N1-(4-methyl-2-pyrimidinyl)sulfanilamido]- (7CI);Sulfamerazine, sodium deriv.(6CI);Sulfanilamide, N1-(4-methyl-2-pyrimidinyl)-, monosodium salt (8CI);2-Sulfanilamido-4-methylpyrimidine sodium salt;4-Methyl-2-sulfanilamidopyrimidine sodium salt;Monosodium2-sulfanilamido-4-methylpyrimidine;Sodium sulfamerazine;Solublesulfamerazine;Solumedine;

 

Sulfamerazine sodium Specification

The Benzenesulfonamide,4-amino-N-(4-methyl-2-pyrimidinyl)-, sodium salt (1:1), with the CAS registry number 127-58-2, is also known as 4-Methyl-2-sulfanilamidopyrimidine sodium salt. Its EINECS number is 204-851-0. This chemical's molecular formula is C11H11N4NaO2S and molecular weight is 286.29. What's more, its systematic name is sodium [(4-aminophenyl)sulfonyl](4-methylpyrimidin-2-yl)azanide. Its classification code is Drug / Therapeutic Agent. It is a sulfanilamide that is used as an antibacterial agent.

Physical properties of Benzenesulfonamide,4-amino-N-(4-methyl-2-pyrimidinyl)-, sodium salt (1:1) are: (1)ACD/LogP: 0.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.34; (4)ACD/LogD (pH 7.4): -0.01; (5)ACD/BCF (pH 5.5): 1.06; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 36.04; (8)ACD/KOC (pH 7.4): 16.4; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 83.57 Å2; (13)Flash Point: 267.8 °C; (14)Enthalpy of Vaporization: 79.18 kJ/mol; (15)Boiling Point: 519.1 °C at 760 mmHg; (16)Vapour Pressure: 7.03E-11 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation and if swallowed. It is irritating to eyes, respiratory system and skin. You should keep the container tightly closed. You must avoid contact with skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing. In case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].O=S(=O)([N-]c1nc(ccn1)C)c2ccc(N)cc2
(2)Std. InChI: InChI=1S/C11H11N4O2S.Na/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10;/h2-7H,12H2,1H3;/q-1;+1
(3)Std. InChIKey: BSFJGCCAXDCMOX-UHFFFAOYSA-N

The toxicity data is as follows:  

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1522mg/kg (1522mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 81, Pg. 17, 1944.
mouse LD50 intravenous 900mg/kg (900mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 94, Pg. 338, 1953.
mouse LD50 oral 2800mg/kg (2800mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 94, Pg. 338, 1953.
mouse LD50 subcutaneous 1739mg/kg (1739mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 81, Pg. 17, 1944.

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