3-Des(allylthio)methyl-3-bromomethyl Althiazide - CAS 7181-60-4
Catalog: |
BB068633 |
Product Name: |
3-Des(allylthio)methyl-3-bromomethyl Althiazide |
CAS: |
7181-60-4 |
Synonyms: |
3-(Bromomethyl)-6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-Dioxide |
IUPAC Name: | 3-(bromomethyl)-6-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide |
Description: | Intermediate in the preparation of Althiazide (A575775). Diuretic activity. |
Molecular Weight: | 390.66 |
Molecular Formula: | C8H9BrClN3O4S2 |
Canonical SMILES: | C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)NC(N2)CBr |
InChI: | InChI=1S/C8H9BrClN3O4S2/c9-3-8-12-5-1-4(10)6(18(11,14)15)2-7(5)19(16,17)13-8/h1-2,8,12-13H,3H2,(H2,11,14,15) |
InChI Key: | CVTBWXDLAWVRNO-UHFFFAOYSA-N |
Solubility: | Dimethyl Sulfoxide, Methanol |
Appearance: | Off-white Solid |
Storage: | Refrigerator |
References: | Taylor, R.M. & Topliss, J.G. J. Med. Pharmaceut. Chem., 5, 312 (1962). |
Complexity: | 543 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 388.89064 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 388.89064 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 135Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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