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Substance Name: Fenbutrazate [INN:BAN]
RN: 4378-36-3
UNII: BKY8H56395
InChIKey: BAQKJENAVQLANS-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Human Data

Molecular Formula

  • C23-H29-N-O3

Molecular Weight

  • 367.486
 
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Names and Synonyms

Name of Substance

  • Fenbutrazate
  • Fenbutrazate [INN:BAN]

Synonyms

  • 4-27-00-01050 (Beilstein Handbook Reference)
  • BRN 0346691
  • EINECS 224-480-8
  • Fenbutrazate
  • Fenbutrazato
  • Fenbutrazato [INN-Spanish]
  • Fenbutrazatum
  • Fenbutrazatum [INN-Latin]
  • Nethanol
  • Phenbutrazate
  • Phenbutrazatum
  • UNII-BKY8H56395

Systematic Names

  • 2-(3-Methyl-2-phenylmorpholino)ethyl 2-phenylbutyrate
  • alpha-Phenylbutyric acid, 2-(3-methyl-2-phenylmorpholino)ethyl ester
  • Benzeneacetic acid, alpha-ethyl-, 2-(3-methyl-2-phenyl-4-morpholinyl)ethyl ester (9CI)
  • Butyric acid, 2-phenyl-, 2-(3-methyl-2-phenylmorpholino)ethyl ester
  • Fenbutrazate

Registry Numbers

CAS Registry Number

  • 4378-36-3

FDA UNII

  • BKY8H56395

System Generated Number

  • 0004378363

Structure Descriptors

InChI

1S/C23H29NO3/c1-3-21(19-10-6-4-7-11-19)23(25)27-17-15-24-14-16-26-22(18(24)2)20-12-8-5-9-13-20/h4-13,18,21-22H,3,14-17H2,1-2H3

InChIKey

BAQKJENAVQLANS-UHFFFAOYSA-N

Smiles

c1([C@@H]2[C@@H]([N@@](CCO2)CCOC([C@@H](c2ccccc2)CC)=O)C)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
man TDLo oral 7143ug/kg (7.143mg/kg) VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION

AUTONOMIC NERVOUS SYSTEM: SYMPATHOMIMETIC
Therapie. Vol. 34, Pg. 205, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.350 (none)   EST
Atmospheric OH Rate Constant 1.64E-10 cm3/molecule-sec 25 EST

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