Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Betamethadol [INN:BAN:DCF]
RN: 17199-55-2
UNII: 57ANR1Z628
InChIKey: QIRAYNIFEOXSPW-XLIONFOSSA-N

Classification Code

  • DEA Schedule I

Molecular Formula

  • C21-H29-N-O

Molecular Weight

  • 311.4661
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Betamethadol [INN:BAN:DCF]

Synonyms

  • (-)-beta-Methadol
  • (3S,6R)-Methadol
  • beta-6-Dimethylamino-4,4-diphenyl-3-heptanol
  • beta-Methadol
  • beta-Methadol, (-)-
  • Betametadol
  • Betametadol [INN-Spanish]
  • Betametadolo
  • Betametadolo [DCIT]
  • Betamethadol
  • Betamethadolum
  • Betamethadolum [INN-Latin]
  • UNII-57ANR1Z628

Systematic Names

  • (3S,6R)-6-Dimethylamino-4,4-diphenyl-3-heptanol
  • 3-Heptanol, 6-(dimethylamino)-4,4-diphenyl-, (3S,6R)-(-)- (8CI)
  • Benzeneethanol, beta-((2R)-2-(dimethylamino)propyl)-alpha-ethyl-beta-phenyl-, (alphaS)-
  • Benzeneethanol, beta-(2-(dimethylamino)propyl)-alpha-ethyl-beta-phenyl-, (S-(R*,S*))- (9CI)

Superlist Names

  • Betamethadol
  • DEA No. 9609

Registry Numbers

CAS Registry Number

  • 17199-55-2

FDA UNII

  • 57ANR1Z628

Other Registry Number

  • 7007-87-6

System Generated Number

  • 0017199552

Structure Descriptors

InChI

1S/C21H29NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20,23H,5,16H2,1-4H3/t17-,20+/m1/s1

InChIKey

QIRAYNIFEOXSPW-XLIONFOSSA-N

Smiles

C(c1ccccc1)(c1ccccc1)(C[C@H](N(C)C)C)[C@H](CC)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 28mg/kg (28mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12108,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.27 (none)   EXP
Water Solubility 24.2 mg/L 25 EST
Vapor Pressure 1.32E-08 mm Hg 25 EST
Henry's Law Constant 4.76E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.13E-10 cm3/molecule-sec 25 EST

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