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Substance Name: Phenadoxone [INN:BAN:DCF]
RN: 467-84-5
UNII: 375W3TA42N
InChIKey: LOXCOAXRHYDLOW-UHFFFAOYSA-N

Molecular Formula

  • C23-H29-N-O2

Molecular Weight

  • 351.487
 

Classification Codes

Classification Code

  • Drug / Therapeutic Agent

Superlist Classification Code

  • DEA Schedule I
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Names and Synonyms

Name of Substance

  • Phenadoxone [INN:BAN:DCF]

Synonyms

  • 4,4-Diphenyl-6-morpholino-3-heptanone
  • 6-(4-Morpholinyl)-4,4-diphenyl-3-heptanone
  • CB 11 [as hydrochloride]
  • EINECS 207-400-6
  • Fenadossone
  • Fenadossone [DCIT]
  • Fenadoxona
  • Fenadoxona [INN-Spanish]
  • Phenadoxone
  • Phenadoxonum
  • Phenadoxonum [INN-Latin]
  • Phenodoxone
  • UNII-375W3TA42N

Systematic Names

  • 3-Heptanone, 4,4-diphenyl-6-morpholino-
  • 3-Heptanone, 6-(4-morpholinyl)-4,4-diphenyl- (9CI)
  • 6-Morpholino-4,4-diphenyl-3-heptanone
  • Phenadoxone

Superlist Names

  • DEA No. 9637
  • Phenadoxone

Registry Numbers

CAS Registry Number

  • 467-84-5

FDA UNII

  • 375W3TA42N

System Generated Number

  • 0000467845

Structure Descriptors

InChI

1S/C23H29NO2/c1-3-22(25)23(20-10-6-4-7-11-20,21-12-8-5-9-13-21)18-19(2)24-14-16-26-17-15-24/h4-13,19H,3,14-18H2,1-2H3

InChIKey

LOXCOAXRHYDLOW-UHFFFAOYSA-N

Smiles

C(c1ccccc1)(c1ccccc1)(C[C@@H](N1CCOCC1)C)C(CC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 12500ug/kg (12.5mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 7, Pg. 196, 1952.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 75.5 deg C   EXP
log P (octanol-water) 3.780 (none)   EST
Atmospheric OH Rate Constant 1.77E-10 cm3/molecule-sec 25 EST

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