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Substance Name: Furethidine [INN:BAN:DCF]
RN: 2385-81-1
UNII: 6U9XA4JOD4
InChIKey: NNCOZXNZFLUYGG-UHFFFAOYSA-N

Molecular Formula

  • C21-H31-N-O4

Molecular Weight

  • 361.4789
 

Classification Codes

Classification Code

  • Drug / Therapeutic Agent

Superlist Classification Code

  • DEA Schedule I
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Names and Synonyms

Name of Substance

  • Furethidine [INN:BAN:DCF]

Synonyms

  • 5-22-02-00472 (Beilstein Handbook Reference)
  • BRN 0496786
  • EINECS 219-195-0
  • Ethyl 4-phenyl-1-(2-tetrahydrofurfuryloxyethyl)piperidine-4-carboxylate
  • Furethidine
  • Furethidinum
  • Furethidinum [INN-Latin]
  • Furetidina
  • Furetidina [DCIT]
  • UNII-6U9XA4JOD4

Systematic Names

  • 1-(2-Tetrahydrofurfuryloxyethyl)-4-phenylpiperidine-4-carboxylic acid ethyl ester
  • Furethidine
  • Isonipecotic acid, 4-phenyl-1-(2-((tetrahydrofurfuryl)oxy)ethyl)-, ethyl ester

Superlist Names

  • DEA No. 9626
  • Furethidine

Registry Numbers

CAS Registry Number

  • 2385-81-1

FDA UNII

  • 6U9XA4JOD4

System Generated Number

  • 0002385811

Structure Descriptors

InChI

1S/C21H31NO4/c1-2-25-20(23)21(18-7-4-3-5-8-18)10-12-22(13-11-21)14-16-24-17-19-9-6-15-26-19/h3-5,7-8,19H,2,6,9-17H2,1H3

InChIKey

NNCOZXNZFLUYGG-UHFFFAOYSA-N

Smiles

CCOC(=O)C1(CCN(CC1)CCOCC2CCCO2)c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 15500ug/kg (15.5mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) British Journal of Pharmacology and Chemotherapy. Vol. 15, Pg. 254, 1960.
rat LD50 oral 135mg/kg (135mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) British Journal of Pharmacology and Chemotherapy. Vol. 15, Pg. 254, 1960.
rat LD50 subcutaneous 26mg/kg (26mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) British Journal of Pharmacology and Chemotherapy. Vol. 15, Pg. 254, 1960.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 28 deg C   EXP
pKa Dissociation Constant 7.48 (none)   EXP
log P (octanol-water) 3.200 (none)   EST
Atmospheric OH Rate Constant 1.45E-10 cm3/molecule-sec 25 EST

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