Carazolol - analytical standard , CAS No.57775-29-8

CAS: 57775-29-8 Cat. No.: C120231 Formule: C₁₈H₂₂N₂O₂ Poids moléculaire: 298.38 Beilstein Registry Number: 3620576 Numéro CE: 260-945-1

GRADE & PURITY Analytical standard

Synonyms

GTPL569 | UNII-29PW75S82A | 29PW75S82A | CHEBI:135261 | SCHEMBL77902 | (isopropylamino)propan-2-ol | BDBM50027663 | NITRONAPHTHALENE | Carazolol [INN:BAN] | CARAZOLOL [MART.] | 8-quinolyl benzoate | BRN 3620576 | D07608 | alpha-Naphthonitrile | 1-(9H-Carb

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Vue d’ensemble

Commission Regulation (EU) No 37/2010 of 22 December 2009 on pharmacologically active substances and their classification regarding maximum residue limits in foodstuffs of animal origin WHO Food Additives Series 34.

Specifications

Synonymes

GTPL569 | UNII-29PW75S82A | 29PW75S82A | CHEBI:135261 | SCHEMBL77902 | (isopropylamino)propan-2-ol | BDBM50027663 | NITRONAPHTHALENE | Carazolol [INN:BAN] | CARAZOLOL [MART.] | 8-quinolyl benzoate | BRN 3620576 | D07608 | alpha-Naphthonitrile | 1-(9H-Carb

Spécifications et pureté

analytical standard

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Étalon d'analyse

Type d'action

ANTAGONIST

Noms et identifiants

• Pubchem Sid: 528770335
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528770335
• Sourires canoniques: CC(C)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O
• IUPAC Name: 1-(9H-carbazol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
• InChIKey: BQXQGZPYHWWCEB-UHFFFAOYSA-N
• INCHI: 1S/C18H22N2O2/c1-12(2)19-10-13(21)11-22-17-9-5-8-16-18(17)14-6-3-4-7-15(14)20-16/h3-9,12-13,19-21H,10-11H2,1-2H3
• Isomères SMILES: CC(C)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O
• WGK Allemagne: 2
• RTECS: UA8685000
• Poids moléculaire: 298.38
• Beilstein: 3620576
• Reaxy-Rn: 3620576
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3620576&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbazoles
• Alternative Parents: Indoles Alkyl aryl ethers Benzenoids Pyrroles Heteroaromatic compounds Secondary alcohols 1,2-aminoalcohols Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - Indole - Alkyl aryl ether - Benzenoid - Heteroaromatic compound - Pyrrole - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Ether - Azacycle - Secondary amine - Hydrocarbon derivative - Alcohol - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.
• 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

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Mécanismes d'action

Propriétés chimiques et physiques

• Point de fusion (°C): 133-137°C
• Poids moléculaire: 298.400 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 298.168 Da
• Monoisotopic Mass: 298.168 Da
• Topological Polar Surface Area: 57.300 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 350.000
• 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

Références

1. Weisi Wang, Jun Li, Wenjing Qi, Ying Chen, Mengxiao Tian, Chuanchuan Wu, Yao Zhang, Yingfang Yu, Shuai Han, Xiumin Han, Liping Duan, Wenbao Zhang.  (2024)  Drug repurposing for hard-to-treat human alveolar echinococcosis: pyronaridine and beyond.  PARASITOLOGY,      [PMID:39508157] [10.1017/S0031182024001124]