Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: N-Methylnantradol
RN: 78513-74-3
InChIKey: TYTNJHKTKQNNKL-UHFFFAOYSA-N

Note

  • Use STEREOISOMERS if the levo cpd is discussed.

Molecular Formula

  • C28-H37-N-O4

Molecular Weight

  • 451.6033
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • N-Methylnantradol

Synonym

  • N-Methyllevonantradol

Systematic Name

  • 1,9-Phenanthridinediol, 5,6,6a,7,8,9,10,10a-octahydro-5,6-dimethyl-3-(1-methyl-4-phenylbutoxy)-, 1-acetate, (6S-(3(S*),6alpha,6aalpha,9alpha,10abeta))-

Registry Numbers

CAS Registry Number

  • 78513-74-3

System Generated Number

  • 0078513743

Structure Descriptors

InChI

1S/C28H37NO4/c1-18(9-8-12-21-10-6-5-7-11-21)32-23-16-26-28(27(17-23)33-20(3)30)25-15-22(31)13-14-24(25)19(2)29(26)4/h5-7,10-11,16-19,22,24-25,31H,8-9,12-15H2,1-4H3

InChIKey

TYTNJHKTKQNNKL-UHFFFAOYSA-N

Smiles

CC(CCCc1ccccc1)Oc2cc(OC(=O)C)c3C4CC(O)CCC4C(C)N(C)c3c2

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 5.72 (none)   EXP
Water Solubility 0.019 mg/L 25 EST
Vapor Pressure 6.56E-14 mm Hg 25 EST
Henry's Law Constant 6.56E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.64E-10 cm3/molecule-sec 25 EST

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