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Home> Hot Product Listed R   > Retinoid X receptor RXRb (rat)
157115-85-0 structure

Retinoid X receptor RXRb (rat)

Iupac Name:ethyl 2-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]acetate
CAS No.:157115-85-0
Molecular Weight:318.373
Molecular Formula:C106H132CLN21O30 (isomer)
Names and Identifiers
Synonyms

Receptor,retinoic acid (rat clone RCOR-1 isoform RXRb reduced) (9CI)

Inchi
InChI=1S/C17H22N2O4/c1-2-23-16(21)12-18-17(22)14-9-6-10-19(14)15(20)11-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H,18,22)/t14-/m0/s1
InChkey
PJNSMUBMSNAEEN-AWEZNQCLSA-N
Canonical Smiles
CCOC(=O)CNC(=O)C1CCCN1C(=O)CC2=CC=CC=C2
Isomers Smiles
CCOC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CC2=CC=CC=C2
Properties
Density
1.012
Melting Point
94.0 to 98.0 °C
Boiling Point
272.5°Cat760mmHg
Vapour
4.93E-12mmHg at 25°C
Refractive Index
1.548
HS Code
29339900
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:318.373g/mol
  • Molecular Formula:C106H132CLN21O30
  • Compound Is Canonicalized:True
  • Exact Mass:318.158
  • Monoisotopic Mass:318.158
  • Complexity:432
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:75.7A^2
  • Heavy Atom Count:23
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7OAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAAHgAQAAAADCjhmAYyCIPABACI AiHSGAACAAAgAAAIiIGIAIgKYDKAlTGXIAAglgCYiAcYiYCOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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