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Details

Stereochemistry ACHIRAL
Molecular Formula C40H58N4.2Cl
Molecular Weight 665.821
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BISDEQUALINIUM CHLORIDE

SMILES

[Cl-].[Cl-].CC1=[N+]2CCCCCCCCCC[N+]3=C(C)C=C(NCCCCCCCCCCNC(=C1)C4=CC=CC=C24)C5=CC=CC=C35

InChI

InChIKey=ZTPJEWMQRZXADZ-BGRABRFLSA-N
InChI=1S/C40H56N4.2ClH/c1-33-31-37-35-23-15-17-25-39(35)43(33)29-21-13-9-5-6-10-14-22-30-44-34(2)32-38(36-24-16-18-26-40(36)44)42-28-20-12-8-4-3-7-11-19-27-41-37;;/h15-18,23-26,31-32H,3-14,19-22,27-30H2,1-2H3;2*1H/b41-37+,42-38+;;

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C40H56N4
Molecular Weight 592.8994
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description
Curator's Comment: description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/3141752 | https://www.ncbi.nlm.nih.gov/pubmed/6573701

Bisdequalinium (also known as R-199, trade name Solvidont) is an antibacterial agent for endodontic use. Bisdequalinium was available in three dispensing forms: an irrigation solution, a working solution, and a medication paste. They contained 0.125 %, 0.5 %, and 0.48 % Bisdequalinium respectively. The low cytotoxicity and high antimicrobial effects, detergent, and lubricating and chelating properties, all claimed in the manufacturer's brochure, make this material an appropriate candidate for clinical endodontic use.

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Curative
Solvidont

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
Block of rat brain recombinant SK channels by tricyclic antidepressants and related compounds.
2000 Jul 28
Patents

Patents

Sample Use Guides

Bisdequalinium was available in three dispensing forms: an irrigation solution, a working solution, and a medication paste. They contained 0.125 %, 0.5 %, and 0.48 % Bisdequalinium respectively.
Route of Administration: Dental
In Vitro Use Guide
L929 mouse fibroblasts cells were used for cytotoxicity evaluation. The culture medium used was minimal essential medium with Eagle's salts (Flow Laboratories, McLean, VA). Ten percent (vol/vol) fetal calf serum, 2 mM L-glutamine, and 2.2 mg of sodium bicarbonate per ml were added to the medium. Antibiotics at a concentration of 50 mkg of streptomycin and 100 IU of penicillin per ml were also added to the medium. The cells, media, procedures for radiochromium labeling of the target cells. In order to prepare desired concentrations of Bisdequalinium for the experiments, the stock Bisdequalinium solutions (0.125% Bisdequalinium) were diluted in the culture medium. One milliliter of the test solution was mixed with 1 ml of the labeled cell suspension in a test tube and incubated at 37C The test tubes were then centrifuged (500 x g), and the supernatants were counted in a gamma particle counter. The percentage of radiochromium release was calculated on the basis of the total amount of label incorporated in the target cells.
Substance Class Chemical
Created
by admin
on Sat Dec 16 02:02:48 GMT 2023
Edited
by admin
on Sat Dec 16 02:02:48 GMT 2023
Record UNII
INQ1WJ5T1A
Record Status Validated (UNII)
Record Version
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Name Type Language
BISDEQUALINIUM CHLORIDE
MI   WHO-DD  
Common Name English
BISDEQUALINIUM CHLORIDE [MI]
Common Name English
5,34:18,23-DIETHENODIBENZO(B,R)(1,5,16,20)TETRAAZACYCLOTRIACONTINE-23,34-DIIUM, 6,7,8,9,10,11,12,13,14,15,16,17,24,25,26,27,28,29,30,31,32,33-DOCOSAHYDRO-35,37-DIMETHYL-, DICHLORIDE
Common Name English
Bisdequalinium chloride [WHO-DD]
Common Name English
BISDIQUALINIUM CHLORIDE
Common Name English
BISDIQUALINIUM DICHLORIDE
Common Name English
Code System Code Type Description
DRUG CENTRAL
3030
Created by admin on Sat Dec 16 02:02:48 GMT 2023 , Edited by admin on Sat Dec 16 02:02:48 GMT 2023
PRIMARY
MERCK INDEX
m1029
Created by admin on Sat Dec 16 02:02:48 GMT 2023 , Edited by admin on Sat Dec 16 02:02:48 GMT 2023
PRIMARY Merck Index
CAS
52951-36-7
Created by admin on Sat Dec 16 02:02:48 GMT 2023 , Edited by admin on Sat Dec 16 02:02:48 GMT 2023
PRIMARY
EVMPD
SUB13076MIG
Created by admin on Sat Dec 16 02:02:48 GMT 2023 , Edited by admin on Sat Dec 16 02:02:48 GMT 2023
PRIMARY
SMS_ID
100000076861
Created by admin on Sat Dec 16 02:02:48 GMT 2023 , Edited by admin on Sat Dec 16 02:02:48 GMT 2023
PRIMARY
FDA UNII
INQ1WJ5T1A
Created by admin on Sat Dec 16 02:02:48 GMT 2023 , Edited by admin on Sat Dec 16 02:02:48 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY