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Details

Stereochemistry RACEMIC
Molecular Formula C20H31NO2S.C6H8O7.H2O
Molecular Weight 559.669
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CETIEDIL CITRATE MONOHYDRATE

SMILES

O.OC(=O)CC(O)(CC(O)=O)C(O)=O.O=C(OCCN1CCCCCC1)C(C2CCCCC2)C3=CSC=C3

InChI

InChIKey=YIIFJFQCZWTTCW-UHFFFAOYSA-N
InChI=1S/C20H31NO2S.C6H8O7.H2O/c22-20(23-14-13-21-11-6-1-2-7-12-21)19(18-10-15-24-16-18)17-8-4-3-5-9-17;7-3(8)1-6(13,5(11)12)2-4(9)10;/h10,15-17,19H,1-9,11-14H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2

HIDE SMILES / InChI

Molecular Formula C6H8O7
Molecular Weight 192.1235
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C20H31NO2S
Molecular Weight 349.531
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Cetiedil is effective potassium channel blocker used as a peripheral vasodilator to treat patients with painful crises in sickle cell anemia and pain in the extremities caused by an arterial disease. Known pharmacological properties of the drug include vascular smooth muscle relaxation, inhibition of phosphodiesterase with the consequent increase in circulating cyclic AMP concentration, blockade of the effect of bradykinin and serotonin, analgesia, inhibition of platelet aggregation and the decrease of plasma and blood viscosity and plasma fibrinogen level. The antisickling effect of cetiedil is explained mainly in the light of the changes it induces in the activities of membrane-bound ATPases and the permeability properties of the erythrocyte membrane to cations and anions.

Approval Year

PubMed

PubMed

TitleDatePubMed
Substance Class Chemical
Created
by admin
on Sat Dec 16 05:10:17 GMT 2023
Edited
by admin
on Sat Dec 16 05:10:17 GMT 2023
Record UNII
8VF7HHY5PF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CETIEDIL CITRATE MONOHYDRATE
Common Name English
3-THIOPHENEACETIC ACID, .ALPHA.-CYCLOHEXYL-, 2-(HEXAHYDRO-1H-AZEPIN-1-YL)ETHYL ESTER, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE HYDRATE(1:1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
165411860
Created by admin on Sat Dec 16 05:10:17 GMT 2023 , Edited by admin on Sat Dec 16 05:10:17 GMT 2023
PRIMARY
FDA UNII
8VF7HHY5PF
Created by admin on Sat Dec 16 05:10:17 GMT 2023 , Edited by admin on Sat Dec 16 05:10:17 GMT 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE
PARENT -> SALT/SOLVATE