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Basic Information
CAS No.: 604-92-2
Name: PARAMYON
Molecular Structure:
Molecular Structure of 604-92-2 (PARAMYON)
Formula: C24H38I2N2
Molecular Weight: 608.388
Synonyms: Ammonium,[(1,2-diethylethylene)di-p-phenylene]bis[trimethyl-, diiodide, stereoisomer(8CI);Benzenaminium, 4,4'-(1,2-diethyl-1,2-ethanediyl)bis[N,N,N-trimethyl-,diiodide, (R*,S*)-;Paramion;Paramyon;meso-4,4'-(1,2-Diethyl-1,2-ethanediyl)bis[N,N,N-trimethylbenzenaminium diiodide;
PSA: 0.00000
LogP: -0.22460
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Specification

The Benzenaminium,4,4'-[(1R,2S)-1,2-diethyl-1,2-ethanediyl]bis[N,N,N-trimethyl-, diiodide, rel-(9CI), with CAS registry number 604-92-2, has the systematic name of 4,4'-hexane-3,4-diylbis(N,N,N-trimethylanilinium) diiodide. Its classification code is Drug / Therapeutic Agent. And the chemical formula of this chemical is C24H38I2N2.

Physical properties of Benzenaminium,4,4'-[(1R,2S)-1,2-diethyl-1,2-ethanediyl]bis[N,N,N-trimethyl-, diiodide, rel-(9CI): (1)ACD/LogP: -0.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.5; (4)ACD/LogD (pH 7.4): -0.5; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 12.67; (8)ACD/KOC (pH 7.4): 12.67; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 0 Å2.

You can still convert the following datas into molecular structure:
(1)SMILES: [I-].[I-].c1cc(ccc1[N+](C)(C)C)C(CC)C(c2ccc(cc2)[N+](C)(C)C)CC
(2)InChI: InChI=1/C24H38N2.2HI/c1-9-23(19-11-15-21(16-12-19)25(3,4)5)24(10-2)20-13-17-22(18-14-20)26(6,7)8;;/h11-18,23-24H,9-10H2,1-8H3;2*1H/q+2;;/p-2
(3)InChIKey: CLMIEWJBSVHIJU-NUQVWONBAZ
(4)Std. InChI: InChI=1S/C24H38N2.2HI/c1-9-23(19-11-15-21(16-12-19)25(3,4)5)24(10-2)20-13-17-22(18-14-20)26(6,7)8;;/h11-18,23-24H,9-10H2,1-8H3;2*1H/q+2;;/p-2
(5)Std. InChIKey: CLMIEWJBSVHIJU-UHFFFAOYSA-L

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 310ug/kg (0.31mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES		 Russian Pharmacology and Toxicology Vol. 32, Pg. 74, 1969.
rat LD50 intraperitoneal 370ug/kg (0.37mg/kg)   Pharmacology and Toxicology. English translation of FATOAO. Vol. 21, Pg. 473, 1958.