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Details

Stereochemistry ACHIRAL
Molecular Formula C40H58N4.2C2H3O2
Molecular Weight 713.0034
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BISDEQUALINIUM DIACETATE

SMILES

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

InChI

InChIKey=GCWKUHNKKWYKOP-BGRABRFLSA-N
InChI=1S/C40H56N4.2C2H4O2/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;2*1-2(3)4/h15-18,23-26,31-32H,3-14,19-22,27-30H2,1-2H3;2*1H3,(H,3,4)/b41-37+,42-38+;;

HIDE SMILES / InChI

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

Molecular Formula C2H4O2
Molecular Weight 60.052
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 Fri Dec 15 16:12:42 GMT 2023
Edited
by admin
on Fri Dec 15 16:12:42 GMT 2023
Record UNII
48RW3M5575
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BISDEQUALINIUM DIACETATE
JAN   MART.   WHO-DD  
Common Name English
BISDEQUALINIUM DIACETATE [JAN]
Common Name English
BISDEQUALINIUM ACETATE
Common Name English
Bisdequalinium diacetate [WHO-DD]
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-, DIACETATE
Common Name English
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-5,34:18,23-DIETHENODIBENZO(B,R)(1,5,16,20)TETRAAZACYCLOTRIACONTINE-23,24-DIIUM DIACETATE
Common Name English
BISDEQUALINIUM DIACETATE [MART.]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C28394
Created by admin on Fri Dec 15 16:12:42 GMT 2023 , Edited by admin on Fri Dec 15 16:12:42 GMT 2023
Code System Code Type Description
MESH
C015712
Created by admin on Fri Dec 15 16:12:42 GMT 2023 , Edited by admin on Fri Dec 15 16:12:42 GMT 2023
PRIMARY
ChEMBL
CHEMBL2110751
Created by admin on Fri Dec 15 16:12:42 GMT 2023 , Edited by admin on Fri Dec 15 16:12:42 GMT 2023
PRIMARY
ECHA (EC/EINECS)
223-252-5
Created by admin on Fri Dec 15 16:12:42 GMT 2023 , Edited by admin on Fri Dec 15 16:12:42 GMT 2023
PRIMARY
RXCUI
236889
Created by admin on Fri Dec 15 16:12:42 GMT 2023 , Edited by admin on Fri Dec 15 16:12:42 GMT 2023
PRIMARY RxNorm
FDA UNII
48RW3M5575
Created by admin on Fri Dec 15 16:12:42 GMT 2023 , Edited by admin on Fri Dec 15 16:12:42 GMT 2023
PRIMARY
NCI_THESAURUS
C79531
Created by admin on Fri Dec 15 16:12:42 GMT 2023 , Edited by admin on Fri Dec 15 16:12:42 GMT 2023
PRIMARY
CAS
3785-44-2
Created by admin on Fri Dec 15 16:12:42 GMT 2023 , Edited by admin on Fri Dec 15 16:12:42 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY