Cas no 111555-58-9 (Naltriben)

Naltriben structure
Naltriben structure
Product Name:Naltriben
CAS No:111555-58-9
MF:C26H25NO4
MW:415.48100733757
CID:218573
PubChem ID:5486827
Update Time:2025-04-19

Naltriben Chemical and Physical Properties

Names and Identifiers

    • 4,8-Methano-8aH-bisbenzofuro[3,2-e:2',3'-g]isoquinoline-1,8a-diol,7-(cyclopropylmethyl)-5,6,7,8,9,14b-hexahydro-, (4bS,8R,8aS,14bR)-
    • 4,8-Methano-8aH-bisbenzofuro[3,2-e:2',3'-g]isoquinoline-1,8a-diol,7-(cyclopropylmethyl)-5,6,7,...
    • 4,8-Methano-8aH-bisbenzofuro[3,2-e:2',3'-g]isoquinoline-1,8a-diol,7-(cyclopropylmethyl)-5,6,7,8,9,14b-hexahydro-, (4bS,8R,8aS
    • Naltriben
    • NALTRIBEN MESYLATE
    • 17-(CyclopropylMethyl)-6,7-didehydro-3,14β-dihydroxy-4,5α-epoxy-6,7-2',3'-benzo[b]furanoMorphinanMesylate
    • C26H25NO4
    • HMS2089G18
    • naltrindole benzofuran
    • NTB
    • naltrindolebenzofuran
    • NALTRIBEN METHANESULFONATE
    • 17-(Cyclopropylmethyl)-6,7-didehydro-3,14b-dihydroxy-4,5a-epoxy-6,7-2',3'-benzo[b]furanomorphinanmesylate
    • 17-(CYCLOPROPYLMETHYL)-6,7-DIDEHYDRO-3, 14B-DIHYDROXY-4,5A-EPOXY-6,7-2',3'-BENZO[B]FURANOMORPHINAN MESYLATE
    • 17-(Cyclopropylmethyl)-6,7-didehydro-3-4,5alpha-epoxy-14beta-dihydroxy-6,7-2',3'-benzo[b]furanomorphinan mesylate
    • CHEMBL100940
    • [3H]naltriben
    • [3H]-naltriben
    • BDBM82552
    • 111555-58-9
    • CHEBI:177440
    • DTXSID80912218
    • GTPL1640
    • CAS_111555-58-9
    • (4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,9,14b-hexahydro-8aH-4,8-methanobis[1]benzofuro[3,2-e:2',3'-g]isoquinoline-1,8a-diol
    • Q12746295
    • 4,8-Methano-5H-bisbenzofuro(3,2-e:2',3'-g)isoquinoline-1,8a(9H)-diol, 7-(cyclopropylmethyl)-6,7,8,14b-tetrahydro-, (8R-(4bS*,8alpha,8beta,14bbeta))-
    • GTPL3828
    • (1S,2S,13R,21R)-22-(cyclopropylmethyl)-11,14-dioxa-22-azaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol
    • C20166
    • 4,8-METHANO-8AH-BISBENZOFURO(3,2-E:2',3'-G)ISOQUINOLINE-1,8A-DIOL, 7-(CYCLOPROPYLMETHYL)-5,6,7,8,9,14B-HEXAHYDRO-, (4BS,8R,8AS,14BR)-
    • PDSP2_001551
    • 4,8-METHANO-8AH-BISBENZOFURO(3,2-E:2',3'-G)ISOQUINOLINE-1,8A-DIOL, 7-(CYCLOPROPYLMETHYL)-5,6,7,8,9,14B-HEXAHYDRO-, (8R-(4BS*,8.ALPHA.,8A.BETA.,14B.BETA.))-
    • UNII-RXG719F189
    • SCHEMBL1240717
    • RXG719F189
    • AB00691672-07
    • (4BS,8R,8AS,14BR)-7-(CYCLOPROPYLMETHYL)-5,6,7,8,9,14B-HEXAHYDRO-4,8-METHANO-8AH-BISBENZOFURO(3,2-E:2',3'-G)ISOQUINOLINE-1,8A-DIOL
    • Inchi: 1S/C26H25NO4/c28-18-8-7-15-11-20-26(29)12-17-16-3-1-2-4-19(16)30-22(17)24-25(26,21(15)23(18)31-24)9-10-27(20)13-14-5-6-14/h1-4,7-8,14,20,24,28-29H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1
    • InChI Key: ZHVWWEYETMPAMX-IFKAHUTRSA-N
    • SMILES: O1C2=C(C=CC3C[C@@H]4[C@@]5(CC6C7C=CC=CC=7OC=6[C@H]1[C@@]5(C=32)CCN4CC1CC1)O)O

Computed Properties

  • Exact Mass: 511.16600
  • Monoisotopic Mass: 415.178
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 2
  • Complexity: 773
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 66.1A^2
  • XLogP3: 3.6

Experimental Properties

  • Color/Form: Gray white solid
  • Density: 1.5
  • Boiling Point: 605.3 °C at 760 mmHg
  • Flash Point: 319.9 °C
  • Refractive Index: 1.779
  • Solubility: DMSO: 14?mg/mL at?~60?°C
  • PSA: 128.82000
  • LogP: 4.36020

Naltriben Security Information

  • WGK Germany:3
  • RTECS:PB9175000
  • Storage Condition:?20°C

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