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Substance Name: Benzoic acid, 4,4'-((6-(diethylamino)-1,3,5-triazine-2,4-diyl)bis(oxy))bis-, bis(3-(diethylamino)-1,2-dimethylpropyl) ester
RN: 85826-16-0
InChIKey: RGKYTVAIVLCZPZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C39-H58-N6-O6

Molecular Weight

  • 706.923
 
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Names and Synonyms

  • Benzoic acid, 4,4'-((6-(diethylamino)-1,3,5-triazine-2,4-diyl)bis(oxy))bis-, bis(3-(diethylamino)-1,2-dimethylpropyl) ester

Registry Numbers

CAS Registry Number

  • 85826-16-0

System Generated Number

  • 0085826160

Structure Descriptors

InChI

1S/C39H58N6O6/c1-11-43(12-2)25-27(7)29(9)48-35(46)31-17-21-33(22-18-31)50-38-40-37(45(15-5)16-6)41-39(42-38)51-34-23-19-32(20-24-34)36(47)49-30(10)28(8)26-44(13-3)14-4/h17-24,27-30H,11-16,25-26H2,1-10H3

InChIKey

RGKYTVAIVLCZPZ-UHFFFAOYSA-N

Smiles

c1(nc(nc(n1)Oc1ccc(C(O[C@@H]([C@@H](CN(CC)CC)C)C)=O)cc1)Oc1ccc(C(O[C@@H]([C@@H](CN(CC)CC)C)C)=O)cc1)N(CC)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1mg/kg (1mg/kg) BEHAVIORAL: TREMOR

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

BEHAVIORAL: EXCITEMENT
Pharmaceutical Chemistry Journal Vol. 20, Pg. 107, 1986.