Cilostazol-d11 - ≥97%,≥98 atom% D , CAS No.1073608-02-2

CAS: 1073608-02-2 Cat. No.: C1267679 분자식: C₂₀H₁₆D₁₁N₅O₂ 분자량: 380.52 PubChem CID: 45038681

GRADE & PURITY ≥97%,≥98 atom% D

Storage

Room temperature

Shipped In

Normal

Specifications

사양 및 순도

≥97%,≥98 atom% D

보관 조건

Room temperature

배송

Normal

작업 유형

INHIBITOR

순수함

≥97%,≥98 atom% D

이름과 식별자

정식 스마일

C1CCC(CC1)N2C(=NN=N2)CCCCOC3=CC4=C(C=C3)NC(=O)CC4

IUPAC Name

6-[4-[1-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)tetrazol-5-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one

InChIKey

RRGUKTPIGVIEKM-SAGHCWGKSA-N

INCHI

1S/C20H27N5O2/c26-20-12-9-15-14-17(10-11-18(15)21-20)27-13-5-4-8-19-22-23-24-25(19)16-6-2-1-3-7-16/h10-11,14,16H,1-9,12-13H2,(H,21,26)/i1D2,2D2,3D2,6D2,7D2,16D

이성체 SMILES

[2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])N2C(=NN=N2)CCCCOC3=CC4=C(C=C3)NC(=O)CC4)([2H])[2H])([2H])[2H])[2H]

PubChem CID

45038681

분자량

380.52

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Quinolines and derivatives
      • Subclass Quinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Quinolines and derivatives
• Subclass: Quinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinolones
• Alternative Parents: Hydroquinolines Alkyl aryl ethers Benzenoids Tetrazoles Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tetrahydroquinolone - Tetrahydroquinoline - Alkyl aryl ether - Benzenoid - Azole - Heteroaromatic compound - Tetrazole - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Azacycle - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone 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: 380.500 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 380.286 Da
• Monoisotopic Mass: 380.286 Da
• Topological Polar Surface Area: 81.900 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 485.000
• Isotope Atom Count: 11
• 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