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Substance Name: Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate
RN: 97683-31-3
UNII: 3368L0W034
InChIKey: KXGWXVVNYQOMQZ-UHFFFAOYSA-M

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
  • Reproductive Effect

Molecular Formula

  • C15-H17-O3-S.Na

Molecular Weight

  • 300.352
 
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Names and Synonyms

Name of Substance

  • Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate

Synonyms

  • 3-Ethyl-7-(1-methylethyl)-1-azulenesulfonic acid sodium salt
  • Azuletil sodium
  • KT 1-32
  • Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate
  • UNII-3368L0W034

Systematic Name

  • 1-Azulenesulfonic acid, 3-ethyl-7-(1-methylethyl)-, sodium salt

Registry Numbers

CAS Registry Number

  • 97683-31-3

FDA UNII

  • 3368L0W034

Other Registry Number

  • 130442-59-0

Related Registry Number

  • 99287-30-6 (Parent)

System Generated Number

  • 0097683313

Molecular Formulas

Molecular Formula

  • C15-H17-O3-S.Na

Molecular Formula Fragments

  • C15-H17-O3-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C15H18O3S.Na/c1-4-11-9-15(19(16,17)18)14-8-12(10(2)3)6-5-7-13(11)14;/h5-10H,4H2,1-3H3,(H,16,17,18);/q;+1/p-1

InChIKey

KXGWXVVNYQOMQZ-UHFFFAOYSA-M

Smiles

c12c(S([O-])(=O)=O)cc(c1cccc(c2)C(C)C)CC.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD oral > 2gm/kg (2000mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), ZONAL"
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 18, Pg. 4367, 1990.
mouse LD50 intraperitoneal 373mg/kg (373mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 18, Pg. 4359, 1990.
mouse LD50 oral 730mg/kg (730mg/kg) BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 18, Pg. 4359, 1990.
mouse LD50 subcutaneous 364mg/kg (364mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 18, Pg. 4359, 1990.
rat LD50 intraperitoneal 224mg/kg (224mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 18, Pg. 4359, 1990.
rat LD50 oral 1096mg/kg (1096mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 18, Pg. 4359, 1990.
rat LD50 subcutaneous 364mg/kg (364mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 18, Pg. 4359, 1990.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 153 dec deg C   EXP
log P (octanol-water) -0.74 (none)   EXP
Water Solubility 5.24E+04 mg/L 25 EST
Vapor Pressure 4.06E-14 mm Hg 25 EST
Atmospheric OH Rate Constant 3.44E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.