DOI - Moligand™ , Agonist of 5-ht 1e receptor;Agonist of 5-HT 1F receptor;Agonist of 5-HT 2A receptor;Agonist of 5-HT 2B receptor;Agonist of 5-HT 2C receptor, CAS No.D609941, Agonist of 5-ht 1e receptor;Agonist of 5-HT 1F receptor;Agonist of 5-HT 2A receptor;Agonist of 5-HT 2B receptor;Agonist of 5-HT 2C receptor

CAS: D609941 Cat. No.: D609941 PubChem CID: 1229

QUALITÉ & PURETÉ Moligand™

Synonyms

NCGC00015302-03 | NCGC00015302-04 | F15177 | Benzeneethanamine,?4-iodo-2,5-dimethoxy-.alpha.-methyl- | Racemic DOI | AKOS015965128 | L000011 | 1-(4-Iodo-2,5-dimethoxyphenyl)-2-aminopropane | (+/-)-1-(4-iodo-2,5-dimethoxyphenyl)-2-aminopropane | A834816 |

Storage

Room temperature

Spécifications

Synonymes

NCGC00015302-03 | NCGC00015302-04 | F15177 | Benzeneethanamine,?4-iodo-2,5-dimethoxy-.alpha.-methyl- | Racemic DOI | AKOS015965128 | L000011 | 1-(4-Iodo-2,5-dimethoxyphenyl)-2-aminopropane | (+/-)-1-(4-iodo-2,5-dimethoxyphenyl)-2-aminopropane | A834816 |

Spécifications et pureté

Moligand™

Conditions de stockage de stockage

Room temperature

Grade

Moligand™

Type d'action

AGONIST

Mécanisme d'action

Agonist of 5-ht 1e receptor;Agonist of 5-HT 1F receptor;Agonist of 5-HT 2A receptor;Agonist of 5-HT 2B receptor;Agonist of 5-HT 2C receptor

Noms et identifiants

Sourires canoniques

COc1cc(I)c(cc1CC(N)C)OC

IUPAC Name

1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine

InChIKey

BGMZUEKZENQUJY-UHFFFAOYSA-N

INCHI

1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3

Isomères SMILES

CC(CC1=CC(=C(C=C1OC)I)OC)N

PubChem CID

1229

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Amphetamines and derivatives
• Alternative Parents: Dimethoxybenzenes Phenylpropanes Phenoxy compounds Anisoles Iodobenzenes Aralkylamines Alkyl aryl ethers Aryl iodides Organopnictogen compounds Organoiodides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Amphetamine or derivatives - P-dimethoxybenzene - Dimethoxybenzene - Phenylpropane - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Halobenzene - Aralkylamine - Iodobenzene - Aryl halide - Aryl iodide - Ether - Organoiodide - Organohalogen compound - Primary aliphatic amine - Primary amine - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.
• External Descriptors: organoiodine compound - amphetamines - dimethoxybenzene

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

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HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 321.150 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 321.023 Da
• Monoisotopic Mass: 321.023 Da
• Topological Polar Surface Area: 44.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 191.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1