Cas no 1217709-85-7 (Repaglinide-ethyl-d5)

Repaglinide-ethyl-d5 structure
Repaglinide-ethyl-d5 structure
Product Name:Repaglinide-ethyl-d5
CAS No:1217709-85-7
MF:C27H31D5N2O4
MW:457.616
CID:1063550
PubChem ID:45040351
Update Time:2024-11-03

Repaglinide-ethyl-d5 Chemical and Physical Properties

Names and Identifiers

    • Repaglinide-ethyl-d5
    • 4-[2-[[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]-2-(1,1,2,2,2-pentadeuterioethoxy)benzoic acid
    • Repaglinide D5
    • TIZOXANIDE
    • [2H5]-Repaglinide
    • MS-28361
    • 1217709-85-7
    • Repaglinide-d5
    • 2-[(~2~H_5_)Ethyloxy]-4-[2-({(1S)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl}amino)-2-oxoethyl]benzoic acid
    • CS-0019844
    • HY-15209S
    • AKOS040744360
    • (S)-(+)-Repaglinide-d5 (ethoxy-d5)
    • AG-EE 623ZW D5
    • (S)-(+)-REPAGLINIDE-D5
    • DA-67156
    • J-004647
    • DTXSID00662187
    • F91295
    • 1ST7195D5
    • Inchi: InChI=1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32)/t23-/m0/s1
    • InChI Key: FAEKWTJYAYMJKF-QHCPKHFHSA-N
    • SMILES: CCOc1cc(ccc1C(=O)O)CC(=O)N[C@@H](CC(C)C)c2ccccc2N3CCCCC3

Computed Properties

  • Exact Mass: 457.29900
  • Monoisotopic Mass: 457.29889136g/mol
  • Isotope Atom Count: 5
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 10
  • Complexity: 619
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.2
  • Topological Polar Surface Area: 78.9?2

Experimental Properties

  • Density: 1.1±0.1 g/cm3
  • Melting Point: 81-111°C
  • Boiling Point: 672.9±55.0 °C at 760 mmHg
  • Flash Point: 360.8±31.5 °C
  • Solubility: Chloroform (Slightly), Methanol (Slightly)
  • PSA: 82.36000
  • LogP: 6.12520
  • Vapor Pressure: 0.0±2.2 mmHg at 25°C

Repaglinide-ethyl-d5 Security Information

Repaglinide-ethyl-d5 Pricemore >>

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