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Substance Name: Cetiedil [INN]
RN: 14176-10-4
UNII: 621RT200TO
InChIKey: MMNICIJVQJJHHF-UHFFFAOYSA-N

Classification Codes

  • Antisickling Agents
  • Cardiovascular Agents
  • Drug / Therapeutic Agent
  • Hematologic Agents
  • Vasodilator Agents

Molecular Formula

  • C20-H31-N-O2-S

Molecular Weight

  • 349.5359
 
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Names and Synonyms

Name of Substance

  • Cetiedil
  • Cetiedil [INN]

Synonyms

  • 2-(1-Azepanyl)ethyl 2-cyclohexyl-2-(3-thienyl)acetat
  • 2-(Hexahydro-1H-azepin-1-yl)ethyl-alpha-cyclohexyl-3-thiopheneacetic acid
  • alpha-Cyclohexyl-3-thiopheneacetic acid, 2-(hexahydro-1H-azepin-1-yl)ethyl ester
  • BRN 1591408
  • Cetiedil
  • Cetiedilum
  • Cetiedilum [INN-Latin]
  • EINECS 238-028-2
  • Fusten
  • UNII-621RT200TO

Systematic Names

  • 3-Thiopheneacetic acid, alpha-cyclohexyl-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester
  • alpha-Cyclohexyl-3-thiopheneacetic acid, 2-(hexahydro-1H-azepin-1-yl)ethyl ester
  • Cetiedil

Registry Numbers

CAS Registry Number

  • 14176-10-4

FDA UNII

  • 621RT200TO

Related Registry Numbers

  • 16199-90-9 (hydrochloride)
  • 16286-69-4 (citrate[1:1])

System Generated Number

  • 0014176104

Structure Descriptors

InChI

1S/C20H31NO2S/c22-20(23-14-13-21-11-6-1-2-7-12-21)19(18-10-15-24-16-18)17-8-4-3-5-9-17/h10,15-17,19H,1-9,11-14H2

InChIKey

MMNICIJVQJJHHF-UHFFFAOYSA-N

Smiles

c1cscc1C(C2CCCCC2)C(=O)OCCN3CCCCCC3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1726mg/kg (1726mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 1644, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 6.140 (none)   EST
Atmospheric OH Rate Constant 1.40E-10 cm3/molecule-sec 25 EST

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