Cas no 49625-89-0 (Morphinan-3,6,14-triol,17-(cyclopropylmethyl)-4,5-epoxy-, (5a,6b)-)

Morphinan-3,6,14-triol,17-(cyclopropylmethyl)-4,5-epoxy-, (5a,6b)- structure
49625-89-0 structure
Product Name:Morphinan-3,6,14-triol,17-(cyclopropylmethyl)-4,5-epoxy-, (5a,6b)-
CAS No:49625-89-0
MF:C20H25NO4
MW:343.41680598259
CID:329581
PubChem ID:5486554
Update Time:2025-04-19

Morphinan-3,6,14-triol,17-(cyclopropylmethyl)-4,5-epoxy-, (5a,6b)- Chemical and Physical Properties

Names and Identifiers

    • Morphinan-3,6,14-triol,17-(cyclopropylmethyl)-4,5-epoxy-, (5a,6b)-
    • 6β-Naltrexol
    • 6-BETA-NALTREXOL HCL
    • 6B-NALTREXOL
    • 6-β-Naltrexol
    • 6β-Naltrexol solution
    • (4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol
    • UNII-J0W963M37T
    • CHEBI:192658
    • 6-
    • 4-cyclopropylmethyl-(13R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-triene-10,14,17-triol
    • JLVNEHKORQFVQJ-PYIJOLGTSA-N
    • NCGC00165851-01
    • 6alpha-Hydroxynaltrexone
    • DTXSID80197942
    • AIKO-150
    • alpha-Naltrexol
    • 17-(Cyclopropylmethyl)-4,5-epoxymorphinan-3,6beta,14-triol
    • Q19598102
    • 17-Cyclopropylmethyl-4,5alpha-epoxy-3,6beta,14-trihydroxymorphinan
    • CS-0027591
    • CHEMBL140278
    • naltrexol
    • N-Cyclopropylmethyl-7,8-dihydro-14-hydroxynorisomorphine
    • 6alpha-Naltrexone
    • 6beta-Naltrexone
    • Morphinan-3,6,14-triol, 17-(cyclopropylmethyl)-4,5-epoxy-, (5alpha,6beta)-
    • 6b-Naltrexol (1.0 mg/mL in Methanol)
    • .BETA.-NALTREXOL
    • A-Naltrexol
    • EN 2260
    • 6beta-Hydroxynaltrexone
    • Naltrexone-6-beta-ol
    • HY-108229
    • 6.BETA.-HYDROXYNALTREXONE
    • Morphinan-3,6,14-triol, 17-(cyclopropylmethyl)-4,5-epoxy-, (5.alpha.,6.beta.)-
    • A-Naltrexol HCl
    • NS00003924
    • 6?-NALTREXOL
    • SCHEMBL679700
    • BDBM50001709
    • Morphinan-3,6,14-triol, 17-(cyclopropylmethyl)-4,5-epoxy-, (5?,6?)-; (5?,6?)-17-(Cyclopropylmethyl)-4,5-epoxymorphinan-3,6,14-triol; 17-(Cyclopropylmethyl)-4,5?-epoxy-3,14-dihydroxymorphinan-6?-ol; 6?-Hydroxynaltrexone; 6?-Naltrexol; ?-Naltrexol
    • 6beta-Naltrexol
    • 6-beta-Naltrexol, 1mg/ml in Methanol
    • (4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzouro[3,2-e]isoquinoline-4a,7,9-triol
    • Morphinan-3,6alpha,14-triol, 17-(cyclopropylmethyl)-4,5alpha-epoxy-
    • 6.BETA.-NALTREXOL
    • 6
    • 6-alpha-naltrexol
    • J0W963M37T
    • beta-Naltrexol
    • 17-(Cyclopropylmethyl)-4,5alpha-epoxymorphinan-3,6alpha,14-triol
    • 49625-89-0
    • 6 alpha-hydroxynaltrexone
    • 6alpha-Naltrexol
    • ARD159640
    • DA-49953
    • 17-(Cyclopropylmethyl)-4,5-epoxy-(5?,6?)-morphinan-3,6,14-triol; 6?-Hydroxynaltrexone; ?-Naltrexol;
    • G87745
    • 1ST159640
    • Morphinan-3,6,14-triol, 17-(cyclopropylmethyl)-4,5-epoxy-, (5a,6ss)-; (5a,6ss)-17-(Cyclopropylmethyl)-4,5-epoxymorphinan-3,6,14-triol; 17-(Cyclopropylmethyl)-4,5a-epoxy-3,14-dihydroxymorphinan-6ss-ol; 6ss-Hydroxynaltrexone; 6ss-Naltrexol; ss-Naltrexol
    • Inchi: 1S/C20H25NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,14-15,18,22-24H,1-2,5-10H2/t14-,15-,18+,19+,20-/m1/s1
    • InChI Key: JLVNEHKORQFVQJ-PYIJOLGTSA-N
    • SMILES: O1C2=C(C=CC3C[C@@H]4[C@@]5(CC[C@H]([C@H]1[C@@]5(C=32)CCN4CC1CC1)O)O)O

Computed Properties

  • Exact Mass: 343.17800
  • Monoisotopic Mass: 343.17835828g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 2
  • Complexity: 582
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.4
  • Topological Polar Surface Area: 73.2?2

Experimental Properties

  • Melting Point: 90-96?C
  • Flash Point: 9℃
  • PSA: 73.16000
  • LogP: 1.25510

Morphinan-3,6,14-triol,17-(cyclopropylmethyl)-4,5-epoxy-, (5a,6b)- Security Information

  • Hazardous Material transportation number:UN1230 - class 3 - PG 2 - Methanol, solution
  • Hazard Category Code: 11-23/24/25-39/23/24/25
  • Safety Instruction: 16-36/37-45
  • Hazardous Material Identification: F T

Morphinan-3,6,14-triol,17-(cyclopropylmethyl)-4,5-epoxy-, (5a,6b)- Pricemore >>

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