Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: N-(2-((1-(Cyclohexylmethyl)-2-(3-ethyl-2-oxo-5-oxazolidinyl)-2-hydroxyethyl)amino)-2-oxo-1-(2-thienylmethyl)ethyl)-gamma-oxo-alpha-(phenylmethyl)-4-morpholinebutanamide
RN: 122225-00-7
InChIKey: HBNQGHTYKIVMHO-QCZWDIFZSA-N

Molecular Formula

  • C36-H50-N4-O7-S

Molecular Weight

  • 682.878
 
* 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-(2-((1-(Cyclohexylmethyl)-2-(3-ethyl-2-oxo-5-oxazolidinyl)-2-hydroxyethyl)amino)-2-oxo-1-(2-thienylmethyl)ethyl)-gamma-oxo-alpha-(phenylmethyl)-4-morpholinebutanamide

Synonym

  • 4BALMORPH

Systematic Name

  • 4-Morpholinebutanamide, N-(2-((1-(cyclohexylmethyl)-2-(3-ethyl-2-oxo-5-oxazolidinyl)-2-hydroxyethyl)amino)-2-oxo-1-(2-thienylmethyl)ethyl)-gamma-oxo-alpha-(phenylmethyl)-, (5S-(5R*(1R*(R*(S*)),2S*)))-

Registry Numbers

CAS Registry Number

  • 122225-00-7

Other Registry Number

  • 131067-28-2

System Generated Number

  • 0122225007

Structure Descriptors

InChI

1S/C36H50N4O7S/c1-2-39-24-31(47-36(39)45)33(42)29(21-26-12-7-4-8-13-26)37-35(44)30(23-28-14-9-19-48-28)38-34(43)27(20-25-10-5-3-6-11-25)22-32(41)40-15-17-46-18-16-40/h3,5-6,9-11,14,19,26-27,29-31,33,42H,2,4,7-8,12-13,15-18,20-24H2,1H3,(H,37,44)(H,38,43)/t27-,29+,30+,31+,33-/m1/s1

InChIKey

HBNQGHTYKIVMHO-QCZWDIFZSA-N

Smiles

C1COCCN1C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@H]1OC(=O)N(CC)C1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.59 (none)   EXP
Water Solubility 0.039 mg/L 25 EST
Vapor Pressure 7.94E-29 mm Hg 25 EST
Henry's Law Constant 3.37E-30 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.79E-10 cm3/molecule-sec 25 EST

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