Sildenafil dimer - ≥95% , CAS No.1346602-67-2

CAS: 1346602-67-2 Cat. No.: S1253603 PubChem CID: 135564618

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

仕様と純度

≥95%

保管条件

Room temperature

入荷

Normal

純度

≥95%

名前と識別子

• カノニカル・スマイル: CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)S(=O)(=O)C5=CC(=C(C=C5)OCC)C6=NC7=C(C(=O)N6)N(N=C7CCC)C)OCC)C
• IUPAC Name: 5-[2-ethoxy-5-[4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonylpiperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
• InChIKey: OPIJAYPVGDPKAA-UHFFFAOYSA-N
• INCHI: 1S/C38H46N10O8S2/c1-7-11-27-31-33(45(5)43-27)37(49)41-35(39-31)25-21-23(13-15-29(25)55-9-3)57(51,52)47-17-19-48(20-18-47)58(53,54)24-14-16-30(56-10-4)26(22-24)36-40-32-28(12-8-2)44-46(6)34(32)38(50)42-36/h13-16,21-22H,7-12,17-20H2,1-6H3,(H,39,41,49)(H,40,42,50)
• 異性体SMILES: CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)S(=O)(=O)C5=CC(=C(C=C5)OCC)C6=NC7=C(C(=O)N6)N(N=C7CCC)C)OCC)C
• 代替CAS番号: 1346602-67-2
• PubChem CID: 135564618

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds Pyrazolopyrimidines Phenol ethers Phenoxy compounds Alkyl aryl ethers Pyrimidones Piperazines Organosulfonamides Pyrazoles Heteroaromatic compounds Vinylogous amides Sulfonyls Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzenesulfonamide - Pyrazolopyrimidine - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Alkyl aryl ether - Pyrimidone - Pyrimidine - 1,4-diazinane - Organosulfonic acid amide - Piperazine - Pyrazole - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Vinylogous amide - Azole - Heteroaromatic compound - Ether - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked 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

化学的性質と物理的性質

• 分子量: 835.000 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 14
• Exact Mass: 834.294 Da
• Monoisotopic Mass: 834.294 Da
• Topological Polar Surface Area: 229.000 Ų
• Heavy Atom Count: 58
• Formal Charge: 0
• Complexity: 1650.000
• 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