Tiodazosin - Moligand™, ≥98% , CAS No.66969-81-1

CAS: 66969-81-1 Cat. No.: T694055 Molecular Weight: 431.47

GRADE & PURITY Moligand™, ≥98%

Synonyms

BL-5111

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Tiodazosin is a potent competitive postsynaptic alpha adrenergic receptor antagonist.

Specifications

Synonyms

BL-5111

Specifications & Purity

Moligand™, ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Purity

≥98%

Names and Identifiers

• Canonical Smiles: COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=NN=C(O4)SC)N)OC
• IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methanone
• InChIKey: MULPYFRDYRZMDS-UHFFFAOYSA-N
• INCHI: 1S/C18H21N7O4S/c1-27-12-8-10-11(9-13(12)28-2)20-17(21-14(10)19)25-6-4-24(5-7-25)16(26)15-22-23-18(29-15)30-3/h8-9H,4-7H2,1-3H3,(H2,19,20,21)
• Isomeric SMILES: COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=NN=C(O4)SC)N)OC
• Alternate CAS: 66969-81-1
• MeSH Entry Terms: 4-amino-6,7-dimethoxy-2-4-(5-methylthio-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl quinazoline;BL 5111;BL 5111A;tiodazosin;tiodazosin monohydrochloride
• Molecular Weight: 431.47

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylpiperazines
• Alternative Parents: Quinazolinamines 2-heteroaryl carboxamides Anisoles Dialkylarylamines Alkyl aryl ethers Alkylarylthioethers Aminopyrimidines and derivatives Imidolactams Tertiary carboxylic acid amides 1,3,4-oxadiazoles Heteroaromatic compounds Amino acids and derivatives Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-arylpiperazine - Quinazolinamine - Diazanaphthalene - Quinazoline - 2-heteroaryl carboxamide - Aryl thioether - Anisole - Dialkylarylamine - Alkyl aryl ether - Aminopyrimidine - Alkylarylthioether - Pyrimidine - Benzenoid - Imidolactam - Tertiary carboxylic acid amide - 1,3,4-oxadiazole - Heteroaromatic compound - Oxadiazole - Azole - Carboxamide group - Amino acid or derivatives - Oxacycle - Azacycle - Carboxylic acid derivative - Ether - Sulfenyl compound - Thioether - Organopnictogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Primary amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
• 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

Chemical and Physical Properties

• Molecular Weight: 431.500 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 5
• Exact Mass: 431.138 Da
• Monoisotopic Mass: 431.138 Da
• Topological Polar Surface Area: 158.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 597.000
• 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