Basic information
- CAS
742-20-1- Standard SMILES
NS(=O)(=O)c1cc2c(cc1Cl)NC(CC1CCCC1)NS2(=O)=O- InChIKey
BKYKPTRYDKTTJY-UHFFFAOYSA-N- Molecular formula
- C13H18ClN3O4S2
- Average molar mass
- 379.9 g/mol
- Monoisotopic mass
- 379.0427261
Overview
6-chloro-3-(cyclopentylmethyl)-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide is a benzothiadiazine.
Names & identifiers
- Preferred name
- Cyclopenthiazide
- IUPAC
- 6-chloro-3-(cyclopentylmethyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide
- English name
- (-)-Cyclopenthiazide
- Molecular formula
- C13H18ClN3O4S2
- Molecular weight
- 379.88
Names & synonyms
cyclopenthiazide742-20-1CyclomethiazideNavidrexCiclopentiazidaSu-8341CiclopentiazideCyclopenthiazidumDTXSID4022868NSC-1076792H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3-(cyclopentylmethyl)-3,4-dihydro-, 1,1-dioxideVX4S2N85F5
Show more names
NSC107679DTXCID8028686-chloro-3-(cyclopentylmethyl)-1,1-diketo-3,4-dihydro-2H-1$l^(6),2,4-benzothiadiazine-7-sulfonamide6-chloro-3-(cyclopentylmethyl)-1,1-diketo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamideRefChem:581072C03AA07212-012-5Cyclometiazid
Database identifiers
- CAS
742-20-1、96783-05-0、96783-06-1- PubChem CID
- 2904
- DTXSID
DTXSID4022868- ChEMBL
CHEMBL1373254- ChEBI
CHEBI:91686- UNII
- 866GEV195O、T7817XC41U、VX4S2N85F5
- EC Number
- 212-012-5
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 637
Experimental & physicochemical properties
LogP1.27
Physicochemical properties
- Boiling point
- 605.6 · 605.6±65.0 °C(Predicted)
- Density
- 1.471 · 1.471±0.06 g/cm3(Predicted)
- pka
- 9 · 9.00±0.40(Predicted)
- FDA UNII
- 866 GEV195O · 866GEV195O
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationCyclopenthiazide: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3-(cyclopentylmethyl)-3,4-dihydro-, 1,1-dioxide: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Pharmacology
ATC Code
C - Cardiovascular system
QC - Cardiovascular system
MeSH Pharmacological Classification
Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS.
Agents that promote the excretion of urine through their effects on kidney function.
Agents that inhibit SODIUM CHLORIDE SYMPORTERS. They act as DIURETICS. Excess use is associated with HYPOKALEMIA.
Additional notes
DefinitionChEBI: 6-chloro-3-(cyclopentylmethyl)-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide is a benzothiadiazine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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