Piperidolate - ≥98% , CAS No.82-98-4

CAS: 82-98-4 Cat. No.: P195207 분자식: C₂₁H₂₅NO₂ 분자량: 323.43 EC 번호: 201-449-7 PubChem CID: 4839

GRADE & PURITY ≥98%

Synonyms

3-Piperidinol, 1-ethyl-, diphenylacetate | KBio3_002408 | Spectrum_001383 | HY-B0962A | MS-24807 | SPBio_001086 | KBioSS_001863 | AKOS016013077 | KBio2_004431 | NCGC00178395-01 | Benzeneacetic acid, alpha-phenyl-, 1-ethyl-3-piperidinyl ester | NSC_4839 |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Piperidolate is an antimuscarinic, inhibits intestinal cramp induced by acetylcholine (rats and dogs).

Specifications

동의어

3-Piperidinol, 1-ethyl-, diphenylacetate | KBio3_002408 | Spectrum_001383 | HY-B0962A | MS-24807 | SPBio_001086 | KBioSS_001863 | AKOS016013077 | KBio2_004431 | NCGC00178395-01 | Benzeneacetic acid, alpha-phenyl-, 1-ethyl-3-piperidinyl ester | NSC_4839 |

사양 및 순도

≥98%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%

이름과 식별자

• Pubchem Sid: 528770915
• 정식 스마일: CCN1CCCC(C1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
• IUPAC Name: (1-ethylpiperidin-3-yl) 2,2-diphenylacetate
• InChIKey: KTHVBAZBLKXIHZ-UHFFFAOYSA-N
• INCHI: 1S/C21H25NO2/c1-2-22-15-9-14-19(16-22)24-21(23)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19-20H,2,9,14-16H2,1H3
• 이성체 SMILES: CCN1CCCC(C1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
• PubChem CID: 4839
• 분자량: 323.43

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Piperidines Trialkylamines Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - Piperidine - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

관련 대상(비인간)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 분자량: 323.400 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 323.189 Da
• Monoisotopic Mass: 323.189 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 367.000
• 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