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

CAS: 57775-29-8 Cat. No.: C120231 分子式: C₁₈H₂₂N₂O₂ 分子量: 298.38 Beilstein Registry Number: 3620576 EC番号: 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

概要

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

同義語

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

仕様と純度

analytical standard

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

分析用標準物質

アクションタイプ

ANTAGONIST

名前と識別子

• パブケム・シド: 528770335
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/528770335
• カノニカル・スマイル: 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
• 異性体SMILES: CC(C)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O
• WGKドイツ: 2
• RTECS: UA8685000
• 分子量: 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
    • 分類 Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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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作用メカニズム

化学的性質と物理的性質

• 融点（°C）: 133-137°C
• 分子量: 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

参考文献

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]