Mebutizide
Basic information
- CAS
3568-00-1- Standard SMILES
CCC(C)C(C)C1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1- InChIKey
KJLLKLRVCJAFRY-UHFFFAOYSA-N- Molecular formula
- C13H20ClN3O4S2
- Average molar mass
- 381.9 g/mol
- Monoisotopic mass
- 381.0583762
Overview
Mebutizide is a benzothiadiazine.
Names & identifiers
- Preferred name
- Mebutizide
- IUPAC
- 6-chloro-3-(3-methylpentan-2-yl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide
- English name
- mebutizide
- Molecular formula
- C13H20ClN3O4S2
- Molecular weight
- 381.9
Names & synonyms
MebutizideMebutizid3568-00-1MebuthiazideNeoniagarMebutizidaMebutizidumBetalevoDevaleneMinustenTriniagar6-chloro-3-(3-methylpentan-2-yl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
Show more names
6-Chloro-3-(1,2-diMethylbutyl)-7-sulfaMyl-3,4-dihydro-1,2,4-benzothiadiazine-1,1-dioxide6-Chloro-3,4-dihydro-3-(1,2-dimethylbutyl)-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide6-chloro-3-(3-methylpentan-2-yl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide6-chloro-3-(1,2-dimethylbutyl)-1,1-diketo-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamide6-chloro-3-(3-methylpentan-2-yl)-1,1-dioxo-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamide
7738AS83242H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3-(1,2-dimethylbutyl)-3,4-dihydro-, 1,1-dioxideRefChem:156190C03AA136-chloro-3-(1,2-dimethylbutyl)-2H-1,2,4-benzothiadiazine-7-sulfonamide-1,1-dioxide222-660-0Mebutizide (INN)MEBUTIZIDE [INN]
Database identifiers
- CAS
3568-00-1- PubChem CID
- 71652
- DTXSID
DTXSID90863202- ChEMBL
CHEMBL2105212- ChEBI
CHEBI:135597- UNII
- 7738AS8324
- EC Number
- 222-660-0
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 629
Physicochemical properties
- Melting point
- 188 °C · >188°C (dec.)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly )
- form
- Solid
- color
- White to Pale Beige
- Stability
- Hygroscopic
- FDA UNII
- 7738 AS8324 · 7738AS8324
- ATC code
- 3 AA13 · C03AA13
Chemistry & industry
Pharmacology
ATC Code
C - Cardiovascular system
QC - Cardiovascular system
Applications
UsesMebutizide is a thiazide diuretic.
Additional notes
DefinitionChEBI: Mebutizide is a benzothiadiazine.
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Related reactions
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Compound notes
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