UR-144 N-5-hydroxypentyl , CAS No.895155-95-0

CAS: 895155-95-0 Cat. No.: U669149 Formula: C₂₁H₂₉NO₂ Peso molecolare: 327.5 Numero EC: 806-131-7 PubChem CID: 11515395

Synonyms

UR-144 N-5-hydroxypentyl | UR-144 N-(5-Hydroxypentyl) | 5-Hydroxy-UR-144 | UNII-4MC625LVID | 4MC625LVID | UR-144 N-(5-hydroxypentyl)metabolite | [1-(5-hydroxypentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone | Methanone, (1-(5-hydroxypentyl)-1H

Storage

Room temperature

Specifications

Sinonimi

UR-144 N-5-hydroxypentyl | UR-144 N-(5-Hydroxypentyl) | 5-Hydroxy-UR-144 | UNII-4MC625LVID | 4MC625LVID | UR-144 N-(5-hydroxypentyl)metabolite | [1-(5-hydroxypentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone | Methanone, (1-(5-hydroxypentyl)-1H

Condizioni di conservazione di stoccaggio

Room temperature

Proprietà del prodotto

ALogP

4.1

Nomi e identificatori

Sorrisi canonici

CC1(C(C1(C)C)C(=O)C2=CN(C3=CC=CC=C32)CCCCCO)C

IUPAC Name

[1-(5-hydroxypentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

InChIKey

AFWBYMXUEMOBRP-UHFFFAOYSA-N

INCHI

1S/C21H29NO2/c1-20(2)19(21(20,3)4)18(24)16-14-22(12-8-5-9-13-23)17-11-7-6-10-15(16)17/h6-7,10-11,14,19,23H,5,8-9,12-13H2,1-4H3

Isomeri SMILES

CC1(C(C1(C)C)C(=O)C2=CN(C3=CC=CC=C32)CCCCCO)C

PubChem CID

11515395

Peso molecolare

327.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass N-alkylindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: N-alkylindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: N-alkylindoles
• Alternative Parents: Indoles Aryl alkyl ketones Substituted pyrroles Benzenoids Vinylogous amides Heteroaromatic compounds Azacyclic compounds Alkanolamines Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-alkylindole - Indole - Aryl ketone - Aryl alkyl ketone - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Vinylogous amide - Ketone - Alkanolamine - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as n-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 1-position.
• 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

Obiettivi associati (umani)

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Discover Target: CNR2

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CNR1 Tclin Cannabinoid CB1 receptor (20913 Activities)

Discover Target: CNR1

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

CNR2 Tchem Cannabinoid CB2 receptor (16942 Activities)

Discover Target: CNR2

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 327.500 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 327.22 Da
• Monoisotopic Mass: 327.22 Da
• Topological Polar Surface Area: 42.200 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 456.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 1

Domande frequenti

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 895155-95-0, the molecular formula is C21H29NO2, and the molecular weight is 327.5 g/mol. InChIKey AFWBYMXUEMOBRP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.