O-Ethyl Chlorthalidone Hydrate - CAS 1369588-00-0
Catalog: |
BB065784 |
Product Name: |
O-Ethyl Chlorthalidone Hydrate |
CAS: |
1369588-00-0 |
Synonyms: |
O-Ethyl Chlorthalidone; 2-chloro-5-(1-ethoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide; Chlorthalidone Impurity D; Chlorthalidone Ethyl Ether; O-Ethyl Chlorthalidone; 2-Chloro-5[(1RS)-1-ethoxy-3-oxo-2,3-dihydro-1H-isoindol-1-yl]benzene sulfonamide |
IUPAC Name: | 2-chloro-5-(1-ethoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide |
Molecular Weight: | 384.83 |
Molecular Formula: | C16H17ClN2O5S |
Canonical SMILES: | CCOC1(C2=CC=CC=C2C(=O)N1)C3=CC(=C(C=C3)Cl)S(=O)(=O)N |
InChI: | InChI=1S/C16H15ClN2O4S/c1-2-23-16(12-6-4-3-5-11(12)15(20)19-16)10-7-8-13(17)14(9-10)24(18,21)22/h3-9H,2H2,1H3,(H,19,20)(H2,18,21,22) |
InChI Key: | XAYIDIRKYMLVTP-UHFFFAOYSA-N |
References: | Beisenherz, et al. Arch. Int. Pharmacodyn. Ther., 161, 76 (1966); Zsoter, et al. J. Pharmacol. Exp. Ther., 180, 723 (1972); Singer, J.M., et al. Anal. Profiles Drug Subs., 14, 1 (1985). |
Complexity: | 593 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 366.0441058 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 366.0441058 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 107Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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