Cas no 158930-18-8 (ent-Frovatriptan)

ent-Frovatriptan structure
ent-Frovatriptan structure
Product Name:ent-Frovatriptan
CAS No:158930-18-8
MF:C14H17N3O
MW:243.304282903671
CID:109044
PubChem ID:6336426
Update Time:2025-04-18

ent-Frovatriptan Chemical and Physical Properties

Names and Identifiers

    • 1H-Carbazole-6-carboxamide,2,3,4,9-tetrahydro-3-(methylamino)-, (3S)-
    • ent-Frovatriptan
    • (6S)-6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
    • (3S)-2,3,4,9-TETRAHYDRO-3-(METHYLAMINO)-1H-CARBAZOLE-6-CARBOXAMIDE
    • (S)-Frovatriptan
    • 1H-Carbazole-6-carboxamide,2,3,4,9-tetrahydro-3-(methylamino)-,(3S)
    • 1H-Carbazole-6-carboxamide,2,3,4,9-tetrahydro-3-(methylamino)-,(S)
    • (S)-3-(Methylamino)-2,3,4,9-tetrahydro-1H-carbazole-6-carboxamide
    • SCHEMBL16365906
    • 1H-Carbazole-6-carboxamide, 2,3,4,9-tetrahydro-3-(methylamino)-, (3S)-
    • 158930-18-8
    • J-009549
    • (3S)-3-(methylamino)-2,3,4,9-tetrahydro-1H-carbazole-6-carboxamide
    • DTXSID20422821
    • Inchi: 1S/C14H17N3O/c1-16-9-3-5-13-11(7-9)10-6-8(14(15)18)2-4-12(10)17-13/h2,4,6,9,16-17H,3,5,7H2,1H3,(H2,15,18)/t9-/m0/s1
    • InChI Key: XPSQPHWEGNHMSK-VIFPVBQESA-N
    • SMILES: O=C(C1C=CC2=C(C=1)C1=C(CC[C@@H](C1)NC)N2)N

Computed Properties

  • Exact Mass: 243.13700
  • Monoisotopic Mass: 243.137162174g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 333
  • 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: 1.2
  • Topological Polar Surface Area: 70.9?2

Experimental Properties

  • Color/Form: No data available
  • Density: 1.3±0.1 g/cm3
  • Melting Point: Not available
  • Boiling Point: 515.2±50.0 °C at 760 mmHg
  • Flash Point: 265.4±30.1 °C
  • PSA: 70.91000
  • LogP: 2.43470
  • Vapor Pressure: 0.0±1.3 mmHg at 25°C

ent-Frovatriptan Pricemore >>

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