Indecainide , CAS No.74517-78-5

CAS: 74517-78-5 Cat. No.: I667909 분자식: C₂₀H₂₄N₂O 분자량: 308.4 PubChem CID: 52195

Synonyms

INDECAINIDE|Ricainid|Ricainide|Indecainidum [Latin]|Indecainida [Spanish]|Indecainide [INN]|9-[3-(propan-2-ylamino)propyl]fluorene-9-carboxamide|9-(3-(Isopropylamino)propyl)-9-fluorenylcarboxamid|9-(3-(Isopropylamino)propyl))fluorene-9-carboxamide|9-(3-(Isopropylamino)propyl)-9H-fluorene-9-carboxamide|Indecainida|Indecainidum|9H-Fluorene-9-carboxamide, 9-(3-((1-methylethyl)amino)propyl)-|9[3[(1methylethyl)amino]propyl]-fluorene-9-carboxamide|9-{3-[(propan-2-yl)amino]propyl}-9H-fluorene-9-carboxamide|INDECAINIDE [MI]|9-carbamoyl-9-(3-isopropylaminopropyl)fluorene|INDECAINIDE [WHO-DD]|9-(3-isopropylaminopropyl)-9-aminocarbonylfluorene|9-(3-(ISOPROPYLAMINO)PROPYL)FLUORENE-9-CARBOXAMIDE

Storage

Room temperature

사양

동의어

INDECAINIDE | Ricainid | Ricainide | Indecainidum [Latin] | Indecainida [Spanish] | Indecainide [INN] | 9-[3-(propan-2-ylamino)propyl]fluorene-9-carboxamide | 9-(3-(Isopropylamino)propyl)-9-fluorenylcarboxamid | 9-(3-(Isopropylamino)propyl))fluorene-9-carboxamide | 9-(3-(Isopropylamino)propyl)-9H-fluorene-9-carboxamide | Indecainida | Ind Show more

보관 조건

Room temperature

작업 유형

INHIBITOR

제품 특성

ALogP

3

이름과 식별자

정식 스마일

CC(C)NCCCC1(C2=CC=CC=C2C3=CC=CC=C31)C(=O)N

IUPAC Name

9-[3-(propan-2-ylamino)propyl]fluorene-9-carboxamide

InChIKey

UCEWGESNIULAGX-UHFFFAOYSA-N

INCHI

1S/C20H24N2O/c1-14(2)22-13-7-12-20(19(21)23)17-10-5-3-8-15(17)16-9-4-6-11-18(16)20/h3-6,8-11,14,22H,7,12-13H2,1-2H3,(H2,21,23)

이성체 SMILES

CC(C)NCCCC1(C2=CC=CC=C2C3=CC=CC=C31)C(=O)N

PubChem CID

52195

분자량

308.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Delta amino acids and derivatives Aralkylamines Fatty amides Primary carboxylic acid amides Dialkylamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Delta amino acid or derivatives - Fluorene - Aralkylamine - Fatty amide - Fatty acyl - Amino acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Secondary aliphatic amine - Secondary amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Amine - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aromatic homopolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
• 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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 308.400 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 308.189 Da
• Monoisotopic Mass: 308.189 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 398.000
• 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