Nalmefene hydrochloride - ≥99%(HPLC) , Opioid receptors; mu/kappa/delta antagonist, CAS No.58895-64-0, Opioid receptors; mu/kappa/delta antagonist

CAS: 58895-64-0 Cat. No.: N287696 Summenformel: C₂₁H₂₅NO₃•HCl Molekulargewicht: 375.89 EG-Nummer: 641-080-2 PubChem CID: 5388881

GRADE & PURITY ≥99%(HPLC)

Synonyms

(1S,5R,13S,17S)-4-(cyclopropylmethyl)-14-methylidene-12-oxa-4-azapentacyclo[9.6.1.0,.0,.0,octadeca-7(18),8,10-triene-10,17-diol hydrochloride | D02104 | Nalmefene HCl | UNII-K7K69QC05X | opvee | DTXSID70891705 | NALMEFENE HYDROCHLORIDE [WHO-DD] | SCHEMBL6

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Specifications

Synonyme

(1S,5R,13S,17S)-4-(cyclopropylmethyl)-14-methylidene-12-oxa-4-azapentacyclo[9.6.1.0,.0,.0,octadeca-7(18),8,10-triene-10,17-diol hydrochloride | D02104 | Nalmefene HCl | UNII-K7K69QC05X | opvee | DTXSID70891705 | NALMEFENE HYDROCHLORIDE [WHO-DD] | SCHEMBL6

Spezifikationen & Reinheit

≥99%(HPLC)

Biochemische und physiologische Mechanismen

Opioid receptor antagonist; displays a longer half life thanNaloxone. Exhibits neuroprotective effects after traumatic brain injury in the rat.

Storage

Store at 2-8°C,Protected from light,Desiccated

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

ANTAGONIST

Mechanismus der Wirkung

Opioid receptors; mu/kappa/delta antagonist

Reinheit

≥99%(HPLC)

Namen und Kennungen

Pubchem Sid

508815068

Kanonisches Lächeln

C=C1CCC2(C3CC4=C5C2(C1OC5=C(C=C4)O)CCN3CC6CC6)O.Cl

IUPAC Name

(4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-7-methylidene-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol;hydrochloride

InChIKey

GYWMRGWFQPSQLK-OPHZJPRHSA-N

INCHI

1S/C21H25NO3.ClH/c1-12-6-7-21(24)16-10-14-4-5-15(23)18-17(14)20(21,19(12)25-18)8-9-22(16)11-13-2-3-13;/h4-5,13,16,19,23-24H,1-3,6-11H2;1H/t16-,19+,20+,21-;/m1./s1

Isomere SMILES

C=C1CC[C@]2([C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3CC6CC6)O.Cl

PubChem CID

5388881

Molekulargewicht

375.89

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenanthrenes and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenanthrenes and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenanthrenes and derivatives
• Alternative Parents: Tetralins Coumarans Aralkylamines Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Piperidines Tertiary alcohols Trialkylamines Cyclic alcohols and derivatives 1,2-aminoalcohols Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenanthrene - Tetralin - Coumaran - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Aralkylamine - Piperidine - Cyclic alcohol - Tertiary alcohol - 1,2-aminoalcohol - Tertiary amine - Tertiary aliphatic amine - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Alcohol - Organic oxygen compound - Hydrochloride - Amine - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Zugehörige Ziele (menschlich)

Homo sapiens (32628 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Zugehörige Ziele (nicht menschlich)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:water, Max Conc. mg/mL: 37.59, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 37.59, Max Conc. mM: 100
• Empfindlichkeit: Moisture sensitive
• Molekulargewicht: 375.900 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 375.16 Da
• Monoisotopic Mass: 375.16 Da
• Topological Polar Surface Area: 52.900 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 618.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3