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Substance Name: Benzenemethanaminium, N,N-dimethyl-N-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-, chloride, mixt. with sodium 3,8-dimethyl-5-(1-methylethyl)-1-azulenesulfonate
RN: 136128-69-3
InChIKey: SCDSSEDNITZEGC-UHFFFAOYSA-L

Molecular Formula

  • C27-H42-N-O2.C15-H18-O3-S.Cl.Na

Molecular Weight

  • 748.4391
 
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Names and Synonyms

Synonym

  • TG 89

Systematic Name

  • Benzenemethanaminium, N,N-dimethyl-N-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-, chloride, mixt. with sodium 3,8-dimethyl-5-(1-methylethyl)-1-azulenesulfonate

Registry Numbers

CAS Registry Number

  • 136128-69-3

System Generated Number

  • 0136128693

Molecular Formulas

Molecular Formula

  • C27-H42-N-O2.C15-H18-O3-S.Cl.Na

Molecular Formula Fragments

  • C15-H18-O3-S
  • C27-H42-N-O2
  • Cl
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C27H42NO2.C15H18O3S.ClH.Na/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;1-9(2)12-6-5-10(3)15-13(8-12)11(4)7-14(15)19(16,17)18;;/h8-16H,17-22H2,1-7H3;5-9H,1-4H3,(H,16,17,18);1H;/q+1;;;+1/p-2

InChIKey

SCDSSEDNITZEGC-UHFFFAOYSA-L

Smiles

Cc1ccc(cc-2c(cc(c12)S(=O)(=O)[O-])C)C(C)C.CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCC[N+](C)(C)Cc2ccccc2.[Na+].[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 54880uL/kg (54.88mL/kg) LIVER: OTHER CHANGES

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Shika Yakubutsu Ryoho. Vol. 9, Pg. 157, 1990.