Methazolamide supplier | CasNO.554-57-4

Name
Methazolamide
EINECS 209-066-7
CAS No. 554-57-4
Density 1.79g/cm³
Solubility 2.835g/L(25 oC)
Melting Point 208 ºC (dec.)
Formula C₅H₈N₄O₃S₂
Boiling Point 402°Cat760mmHg
Molecular Weight 236.276
Flash Point 196.9°C
Transport Information
Appearance
Safety 22-36
Risk Codes 20/21/22-40
Molecular Structure
Hazard Symbols
Synonyms Acetamide,N-(4-methyl-2-sulfamoyl-D2-1,3,4-thiadiazolin-5-ylidene)- (6CI,7CI,8CI);5-Acetylimino-4-methyl-D2-1,3,4-thiadiazoline-2-sulfonamide;L 584601;Methazolamide;Methenamide;N-(4-Methyl-2-sulfamoyl-D2-1,3,4-thiadiazolin-5-ylidene)acetamide;Neptazane;Neptazaneat;
PSA 144.03000
LogP 0.35730

Synthetic route

: 52-90-4
L-Cysteine

: 554-57-4
methazolamide

: S-(5-acetylimino-4-methyl-Δ2-1,3,4-thiazolidin-2-yl)cysteine

Conditions

Conditions	Yield
With ammonium formate In water at 20℃; pH=.8;	57%

Methazolamide Specification

The Methazolamide with cas registry number of 554-57-4 is also called Neptazane. Its IUPAC name is called N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide. It also has the EINECS registry number which is 209-066-7. This chemical is a kind of a carbonic anhydrase inhibitor that is used as a diuretic and in the treatment of glaucoma.

The physical properties about this chemical are: (1)ACD/LogP: 0.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.13; (4)ACD/LogD (pH 7.4): -0.21; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 27.68; (8)ACD/KOC (pH 7.4): 12.81; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.737; (13)Molar Refractivity: 53.06 cm³; (14)Molar Volume: 131.9 cm³; (15)Surface Tension: 80 dyne/cm; (16)Density: 1.79 g/cm³; (17)Flash Point: 196.9 °C; (18)Enthalpy of Vaporization: 65.31 kJ/mol; (19)Boiling Point: 402 °C at 760 mmHg; (20)Vapour Pressure: 1.13E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It has the limited evidence of a carcinogenic effect. Therefore, when using it, wear suitable protective clothing. And do not breathe dust.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)/b7-4+;
(2)Smiles: c1(\sc(S(N)(=O)=O)nn1C)=N\C(C)=O

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	2420mg/kg (2420mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Journal of Medicinal Chemistry. Vol. 18, Pg. 351, 1975.
mouse	LD50	intravenous	> 1gm/kg (1000mg/kg)		Drugs in Japan Vol. 6, Pg. 819, 1982.

Product Name

Methazolamide

Synthetic route

Methazolamide Specification

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