Basic information
- CAS
89943-82-8- Standard SMILES
Cc1ncc2c(c1O)COC2c1ccc(Cl)cc1- InChIKey
CVKNDPRBJVBDSS-UHFFFAOYSA-N- Molecular formula
- C14H12ClNO2
- Average molar mass
- 261.7 g/mol
- Monoisotopic mass
- 261.0556563
Overview
Cicletanine is an organochlorine compound.
Names & identifiers
- Preferred name
- Cicletanine
- IUPAC
- 3-(4-chlorophenyl)-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-ol
- English name
- Cicletanine
- Molecular formula
- C14H12ClNO2
- Molecular weight
- 261.7
Names & synonyms
CicletanineCycletanide89943-82-8CicletaninaCicletaninumWin 90,000Win-90000BN-1270CHG7QC509Wcicletanide3-(4-chlorophenyl)-6-methyl-1H,3H-furo[3,4-c]pyridin-7-ol3-(4-chlorophenyl)-6-methyl-1H,3H-furo(3,4-c)pyridin-7-ol
Show more names
3-(4-Chlorophenyl)-1,3-dihydro-6-methylfuro[3,4-c]pyridin-7-olFuro[3,4-c]pyridin-7-ol, 3-(4-chlorophenyl)-1,3-dihydro-6-methyl-
RefChem:577124C03BX031,3-dihydro-6-methyl-7-hydroxy-3-(4-chlorophenyl)furo(3,4-d)pyridine(A+-)-BN-1270Furo(3,4-c)pyridin-7-ol, 3-(4-chlorophenyl)-1,3-dihydro-6-methyl-Tenstaten3-(4-chlorophenyl)-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-ol(R)-(-)-CICLETANINE
Database identifiers
- CAS
89943-82-8- PubChem CID
- 54910
- DTXSID
DTXSID70868972- ChEMBL
CHEMBL191886- ChEBI
CHEBI:135078- UNII
- CHG7QC509W
- EC Number
- 630-329-0
- Nikkaji
- J55.610F
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 294
Experimental & physicochemical properties
LogP2.34
Physicochemical properties
- Boiling point
- 446.3 · 446.3±45.0 °C(Predicted)
- Density
- 1.351 · 1.351±0.06 g/cm3(Predicted)
- pka
- 5.37 · 5.37±0.40(Predicted)
- FDA UNII
- 7 QC509W · CHG7QC509W
- ATC code
- 3 BX03 · C03BX03
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
Safety & regulation
GHS classification
GHS Classification
Danger
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Dam. 1 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H318
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Pharmacology
ATC Code
C - Cardiovascular system
QC - Cardiovascular system
MeSH Pharmacological Classification
Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade.
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.
Applications
UsesAntihypertensive.
Suppliers6 total
奥夫仑医药（四川）有限公司17336178085 · [email protected]
梯尔希（南京）药物研发有限公司18012923235 · [email protected]
成都同创源医药科技有限公司028-83379370 13880556291 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
上海智乾生物科技有限公司[email protected]
泰兴市海川生物科技有限公司19353112242 · [email protected]
Additional notes
DefinitionChEBI: Cicletanine is an organochlorine compound.
Related reactions
5 records
Compound notes
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