Cyclopentolate Hydrochloride - ≥98% , CAS No.5870-29-1

CAS: 5870-29-1 Cat. No.: C134695 Fórmula: C₁₇H₂₆ClNO₃ Peso molecular: 327.85 Número CE: 227-521-8

GRADE & PURITY ≥98%

Synonyms

736I6971TE | Ciclolux | CYCLOPENTOLATE HYDROCHLORIDE [MART.] | Q27266147 | CYCLOPENTOLATE HYDROCHLORIDE [USP-RS] | NCGC00094635-01 | DTXSID9045390 | CHEBI:4025 | NCGC00018213-06 | SR-01000003121-4 | Tox21_110550 | 2-(2-(1-Hydroxycyclopentyl)-2-phenylaceto

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Visão geral

Product Describtion:

Cyclopentolate (DL-Cyclopentolate) hydrochloride is an Atropine-like muscarinic receptors antagonist with a pKB value of 7.8 (on the circular ciliary muscle). Cyclopentolate hydrochloride is an anti-muscarinic agent commonly used in the ophthalmologic practice.

Specifications

Sinónimos

736I6971TE | Ciclolux | CYCLOPENTOLATE HYDROCHLORIDE [MART.] | Q27266147 | CYCLOPENTOLATE HYDROCHLORIDE [USP-RS] | NCGC00094635-01 | DTXSID9045390 | CHEBI:4025 | NCGC00018213-06 | SR-01000003121-4 | Tox21_110550 | 2-(2-(1-Hydroxycyclopentyl)-2-phenylaceto

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C,Protected from light

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 488182743
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182743
• Sorrisos canónicos: CN(C)CCOC(=O)C(C1=CC=CC=C1)C2(CCCC2)O.Cl
• IUPAC Name: 2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate;hydrochloride
• InChIKey: RHKZVMUBMXGOLL-UHFFFAOYSA-N
• INCHI: 1S/C17H25NO3.ClH/c1-18(2)12-13-21-16(19)15(14-8-4-3-5-9-14)17(20)10-6-7-11-17;/h3-5,8-9,15,20H,6-7,10-13H2,1-2H3;1H
• SMILES isoméricas: CN(C)CCOC(=O)C(C1=CC=CC=C1)C2(CCCC2)O.Cl
• WGK Alemanha: 3
• Peso molecular: 327.85
• Reaxy-Rn: 3760509
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3760509&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Cyclopentanols Tertiary alcohols Trialkylamines Cyclic alcohols and derivatives Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Cyclopentanol - Cyclic alcohol - Tertiary alcohol - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alcohol - Organonitrogen compound - Organooxygen compound - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• External Descriptors: hydrochloride

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

Alvos associados (humanos)

SMN1 Tchem Survival motor neuron protein (34246 Activities)

Discover Target: SMN1

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

LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

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

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

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

SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

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

RAN Tchem GTP-binding nuclear protein Ran/Importin subunit beta-1/Snurportin-1 (21853 Activities)

Discover Target: RAN

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

Alvos associados (não humanos)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Impa1 Inositol monophosphatase 1 (16203 Activities)

Discover Target: Impa1

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

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: light & Moisture sensitive
• Peso molecular: 327.800 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 327.16 Da
• Monoisotopic Mass: 327.16 Da
• Topological Polar Surface Area: 49.800 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 331.000
• 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: 2

XLogP3