Desamino hydroxy terazosin - ≥95% , CAS No.1177261-73-2

CAS: 1177261-73-2 Cat. No.: D1242707 Molecular Weight: 388.42 EC Number: 817-183-5 PubChem CID: 136276642

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: COC1=C(C=C2C(=C1)C(=O)NC(=N2)N3CCN(CC3)C(=O)C4CCCO4)OC
• IUPAC Name: 6,7-dimethoxy-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-3H-quinazolin-4-one
• InChIKey: SOPCVLMNPKFJKQ-UHFFFAOYSA-N
• INCHI: 1S/C19H24N4O5/c1-26-15-10-12-13(11-16(15)27-2)20-19(21-17(12)24)23-7-5-22(6-8-23)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H,20,21,24)
• Isomeric SMILES: COC1=C(C=C2C(=C1)C(=O)NC(=N2)N3CCN(CC3)C(=O)C4CCCO4)OC
• PubChem CID: 136276642
• Molecular Weight: 388.42

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 Dialkylarylamines Anisoles Pyrimidones Alkyl aryl ethers Aminopyrimidines and derivatives Vinylogous amides Tertiary carboxylic acid amides Oxolanes Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-arylpiperazine - Quinazolinamine - Quinazoline - Anisole - Phenol ether - Dialkylarylamine - Alkyl aryl ether - Aminopyrimidine - Pyrimidone - Benzenoid - Pyrimidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Vinylogous amide - Oxolane - Carboxamide group - Azacycle - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Organic oxide - 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: 388.400 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 388.175 Da
• Monoisotopic Mass: 388.175 Da
• Topological Polar Surface Area: 92.700 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 634.000
• 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