Cyclopenthiazide Structure

Cyclopenthiazide

Chemical Properties

Melting point 230°
Boiling point 605.6±65.0 °C(Predicted)
Density  1.3650 (rough estimate)
refractive index  1.6100 (estimate)
storage temp.  Refrigerator
solubility  Acetonitrile (Slightly), DMSO (Slightly), Methanol (Sparingly)
form  Solid
pka 9.00±0.40(Predicted)
color  White to Off-White
Water Solubility  50mg/L(room temperature)
Major Application pharmaceutical
pharmaceutical small molecule
InChI 1S/C13H18ClN3O4S2/c14-9-6-10-12(7-11(9)22(15,18)19)23(20,21)17-13(16-10)5-8-3-1-2-4-8/h6-8,13,16-17H,1-5H2,(H2,15,18,19)
InChIKey BKYKPTRYDKTTJY-UHFFFAOYSA-N
SMILES [S]1(=O)(=O)NC(Nc3c1cc(c(c3)Cl)[S](=O)(=O)N)CC2CCCC2
CAS DataBase Reference 742-20-1(CAS DataBase Reference)
FDA UNII VX4S2N85F5
ATC code C03AA07
EPA Substance Registry System 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3-(cyclopentylmethyl)-3,4-dihydro-, 1,1-dioxide (742-20-1)
UNSPSC Code 41116107
NACRES NA.24

Safety

Symbol(GHS) Exclamation Mark (GHS07)Health Hazard (GHS08)
Signal wordWarning
Hazard statements H302-H315-H319-H335-H373
Precautionary statements P261-P280-P301+P312-P302+P352-P305+P351+P338
WGK Germany  WGK 1
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Toxicity LD50 in rats, mice (mg/kg): 141.8 ±24, 232.4 ±25 i.v. (Barrett)

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