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Substance Name: Etomidoline [INN:JAN]
RN: 21590-92-1
UNII: WFS7G78GYJ
InChIKey: ITIONVBQFUNVJV-UHFFFAOYSA-N

Note

  • Has myolytic activity on extravascular smooth muscle.

Classification Codes

  • Drug / Therapeutic Agent
  • Reproductive Effect

Molecular Formula

  • C23-H29-N3-O2

Molecular Weight

  • 379.5011
 
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Names and Synonyms

Name of Substance

  • Amidoline
  • Etomidoline [INN:JAN]

Synonyms

  • 2-Ethyl-2,3-dihydro-3-((4-(2-(1-piperidinyl)ethoxy)phenyl)amino)-1H-isoindol-1-one
  • 2-Ethyl-3-(beta-piperidino-p-phenetidino)phthalimidine
  • Amidoline
  • EINECS 244-463-9
  • Etomidolina
  • Etomidolina [INN-Spanish]
  • Etomidoline
  • Etomidolinum
  • Etomidolinum [INN-Latin]
  • K 2680
  • Nonspa
  • Smedolin
  • UNII-WFS7G78GYJ

Systematic Names

  • 1H-Isoindol-1-one, 2-ethyl-2,3-dihydro-3-((4-(2-(1-piperidinyl)ethoxy)phenyl)amino)-
  • 2-Ethyl-3-(beta-piperidino-p-phenetidino)phthalimidine
  • 2-Ethyl-3-(p-(beta-piperidinoethoxy)phenylamino)-isoindoline-1-one
  • Etomidoline
  • Phthalimidine, 2-ethyl-3-(beta-piperidino-p-phenetidino)-

Registry Numbers

CAS Registry Number

  • 21590-92-1

FDA UNII

  • WFS7G78GYJ

System Generated Number

  • 0021590921

Structure Descriptors

InChI

1S/C23H29N3O2/c1-2-26-22(20-8-4-5-9-21(20)23(26)27)24-18-10-12-19(13-11-18)28-17-16-25-14-6-3-7-15-25/h4-5,8-13,22,24H,2-3,6-7,14-17H2,1H3

InChIKey

ITIONVBQFUNVJV-UHFFFAOYSA-N

Smiles

CCN1C(Nc2ccc(OCCN3CCCCC3)cc2)c4ccccc4C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 36mg/kg (36mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 1730, 1974.
mouse LD50 oral 168mg/kg (168mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 1730, 1974.
mouse LD50 subcutaneous 109mg/kg (109mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 1730, 1974.
rat LD50 intravenous 42mg/kg (42mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 1730, 1974.
rat LD50 oral 695mg/kg (695mg/kg) SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE

BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 1730, 1974.
rat LD50 subcutaneous 94mg/kg (94mg/kg)   Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 1730, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 106.5 deg C   EXP
log P (octanol-water) 2.720 (none)   EST
Atmospheric OH Rate Constant 2.36E-10 cm3/molecule-sec 25 EST

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