BENZOQUINONIUM

US Previously Marketed

First approved in 1951

Details

Stereochemistry	ACHIRAL
Molecular Formula	C34H50N4O2
Molecular Weight	546.7864
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	2

SHOW SMILES / InChI

Structure Search

SMILES

CC[N+](CC)(CCCNC1=CC(=O)C(NCCC[N+](CC)(CC)CC2=CC=CC=C2)=CC1=O)CC3=CC=CC=C3

InChI

InChIKey=YERABYSOHUZTPQ-UHFFFAOYSA-P

InChI=1S/C34H48N4O2/c1-5-37(6-2,27-29-17-11-9-12-18-29)23-15-21-35-31-25-34(40)32(26-33(31)39)36-22-16-24-38(7-3,8-4)28-30-19-13-10-14-20-30/h9-14,17-20,25-26H,5-8,15-16,21-24,27-28H2,1-4H3/p+2

HIDE SMILES / InChI

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Neuronal acetylcholine receptor 13 Target ID: CHEMBL2094110 Sources: https://www.ncbi.nlm.nih.gov/pubmed/8510023 \| https://www.ncbi.nlm.nih.gov/pubmed/4403972 \| https://www.ncbi.nlm.nih.gov/pubmed/1919416	Antagonist 2778

Doses

Dose	Population	Adverse events
12 mg single, intravenous Highest studied dose Dose: 12 mg Route: intravenous Route: single Dose: 12 mg Sources: https://pubmed.ncbi.nlm.nih.gov/14933771	unhealthy n = 1 Health Status: unhealthy Condition: anzesthesia Population Size: 1 Sources: https://pubmed.ncbi.nlm.nih.gov/14933771	Other AEs: Colic, Salivation... Other AEs: Colic (1 patient) Salivation (1 patient) Paresis (1 patient) Sources: https://pubmed.ncbi.nlm.nih.gov/14933771

AEs

AE	Significance	Dose	Population
Colic	1 patient	12 mg single, intravenous Highest studied dose Dose: 12 mg Route: intravenous Route: single Dose: 12 mg Sources: https://pubmed.ncbi.nlm.nih.gov/14933771	unhealthy n = 1 Health Status: unhealthy Condition: anzesthesia Population Size: 1 Sources: https://pubmed.ncbi.nlm.nih.gov/14933771
Paresis	1 patient	12 mg single, intravenous Highest studied dose Dose: 12 mg Route: intravenous Route: single Dose: 12 mg Sources: https://pubmed.ncbi.nlm.nih.gov/14933771	unhealthy n = 1 Health Status: unhealthy Condition: anzesthesia Population Size: 1 Sources: https://pubmed.ncbi.nlm.nih.gov/14933771
Salivation	1 patient	12 mg single, intravenous Highest studied dose Dose: 12 mg Route: intravenous Route: single Dose: 12 mg Sources: https://pubmed.ncbi.nlm.nih.gov/14933771	unhealthy n = 1 Health Status: unhealthy Condition: anzesthesia Population Size: 1 Sources: https://pubmed.ncbi.nlm.nih.gov/14933771

Sourcing

Vendor/Aggregator	ID	URL
AAA Chemistry	AR-1E8484
ABI Chem	AC1L1SY1
ABI Chem	AC1Q6I0M
BOC Sciences	311-09-1
MolPort	MolPort-023-275-886
NovoSeek	9394
Tetrahedron	TS75395
Tocris	424
Toronto Research Chemicals	B206613
ZINC	ZINC000100001933	http://zinc15.docking.org/substances/ZINC000100001933
eMolecules	6880975

Patents

Name

Type

Language

BENZOQUINONIUM

Systematic Name

English

N,N'-((3,6-DIOXO-1,4-CYCLOHEXADIENE-1,4-DIYL)BIS(IMINO-3,1-PROPANEDIYL))BIS(N,N-DIETHYLBENZENEMETHANAMINIUM

Common Name

English

BENZOQUINONIUM ION

Common Name

English

BENZOQUINONIUM CATION

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C66886