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

CAS: 66969-81-1 Cat. No.: T694055 분자식: C₁₈H₂₁N₇O₄S 분자량: 431.47

GRADE & PURITY Moligand™, ≥98%

Synonyms

BL-5111

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Tiodazosin is a potent competitive postsynaptic alpha adrenergic receptor antagonist.

Specifications

동의어

BL-5111

사양 및 순도

Moligand™, ≥98%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

ANTAGONIST

순수함

≥98%

이름과 식별자

정식 스마일

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)

이성체 SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=NN=C(O4)SC)N)OC

대체 CAS

66969-81-1

MeSH 용어

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

분자량

431.47

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 분자량: 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