Acotiamide Hydrochloride - ≥99% , CAS No.185104-11-4

CAS: 185104-11-4 Cat. No.: A352737 Formula: C₂₁H₃₁ClN₄O₅S Peso molecolare: 487.01

GRADE & PURITY ≥99%

Synonyms

VQEKQYLTAIVCBW-UHFFFAOYSA-N | ACOTIAMIDE HYDROCHLORIDE [MI] | Z338 | AKOS030529148 | Acotiamide (hydrochloride) | SCHEMBL6968566 | N-(N',N'-Diisopropylaminoethyl)-(2-(2-hydroxy-4,5-dimethoxybenzoylamino)-1,3-thiazole-4-yl)carboxyamide | SY226332 | Acotiam

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

VQEKQYLTAIVCBW-UHFFFAOYSA-N | ACOTIAMIDE HYDROCHLORIDE [MI] | Z338 | AKOS030529148 | Acotiamide (hydrochloride) | SCHEMBL6968566 | N-(N',N'-Diisopropylaminoethyl)-(2-(2-hydroxy-4,5-dimethoxybenzoylamino)-1,3-thiazole-4-yl)carboxyamide | SY226332 | Acotiam

Specifiche e purezza

≥99%

Meccanismi biochimici e fisiologici

Acotiamide is a potent, selective and reversible inhibitor of human and canine stomach-derived acetylcholinesterase (AChE). Acotiamide showed no affinity for dopamine D2 or serotonin 5-HT4 receptors but does have activity as a muscarinic antagonist. It ac

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥99%

Nomi e identificatori

Pubchem Sid

504765154

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504765154

Sorrisi canonici

CC(C)N(CCNC(=O)C1=CSC(=N1)NC(=O)C2=CC(=C(C=C2O)OC)OC)C(C)C.Cl

IUPAC Name

N-[2-[di(propan-2-yl)amino]ethyl]-2-[(2-hydroxy-4,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide;hydrochloride

InChIKey

VQEKQYLTAIVCBW-UHFFFAOYSA-N

INCHI

1S/C21H30N4O5S.ClH/c1-12(2)25(13(3)4)8-7-22-20(28)15-11-31-21(23-15)24-19(27)14-9-17(29-5)18(30-6)10-16(14)26;/h9-13,26H,7-8H2,1-6H3,(H,22,28)(H,23,24,27);1H

Isomeri SMILES

CC(C)N(CCNC(=O)C1=CSC(=N1)NC(=O)C2=CC(=C(C=C2O)OC)OC)C(C)C.Cl

Peso molecolare

487.01

Reaxy-Rn

10135375

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10135375&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Hydroxybenzoic acid derivatives
          • Level6 Salicylic acid and derivatives
            • Level7 Salicylamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Hydroxybenzoic acid derivatives - Salicylic acid and derivatives
• Direct Parent: Salicylamides
• Alternative Parents: Methoxyphenols Dimethoxybenzenes 4-alkoxyphenols Benzamides Thiazolecarboxamides Phenoxy compounds 2-heteroaryl carboxamides Benzoyl derivatives Anisoles 1-hydroxy-2-unsubstituted benzenoids 2,4-disubstituted thiazoles Alkyl aryl ethers Vinylogous acids Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Hydrochlorides Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methoxyphenol - Salicylamide - Dimethoxybenzene - O-dimethoxybenzene - Benzamide - 4-alkoxyphenol - 2-heteroaryl carboxamide - Phenol ether - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - Benzoyl - Phenoxy compound - Methoxybenzene - Anisole - 2,4-disubstituted 1,3-thiazole - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Vinylogous acid - Thiazole - Azole - Heteroaromatic compound - Tertiary aliphatic amine - Secondary carboxylic acid amide - Tertiary amine - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic oxygen compound - Hydrochloride - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Amine - Organic oxide - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as salicylamides. These are carboxamide derivatives of salicylic acid. Salicylic acid is the ortho-hydroxylated derivative of benzoic acid.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 487.000 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 486.17 Da
• Monoisotopic Mass: 486.17 Da
• Topological Polar Surface Area: 141.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 586.000
• 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: 2

XLogP3

Domande frequenti

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 185104-11-4, the molecular formula is C21H31ClN4O5S, and the molecular weight is 487.01 g/mol. InChIKey VQEKQYLTAIVCBW-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.