Arotinolol Hydrochloride - Moligand™, ≥98% , CAS No.68377-91-3

CAS: 68377-91-3 Cat. No.: A304372 Summenformel: C₁₅H₂₁N₃O₂S₃•HCl Molekulargewicht: 407.99 EG-Nummer: 818-190-6

GRADE & PURITY Moligand™, ≥98%

Synonyms

CAS-68377-91-3 | 9DOI1HT306 | .ALPHA.-BROMO-N-CAPROIC ACID [MI] | Tox21_112721 | FT-0602864 | (+/-)-2-(3'-TERT-BUTYLAMINO-2'-HYDROXYPROPYLTHIO)-4-(5'-CARBAMOYL-2'-THIENYL)THIAZOLE HCL | Almarl (TN) | AROTINOLOL HYDROCHLORIDE [MART.] | Arotinolol (hydrochl

Storage

Protected from light,Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyme

CAS-68377-91-3 | 9DOI1HT306 | .ALPHA.-BROMO-N-CAPROIC ACID [MI] | Tox21_112721 | FT-0602864 | (+/-)-2-(3'-TERT-BUTYLAMINO-2'-HYDROXYPROPYLTHIO)-4-(5'-CARBAMOYL-2'-THIENYL)THIAZOLE HCL | Almarl (TN) | AROTINOLOL HYDROCHLORIDE [MART.] | Arotinolol (hydrochl

Spezifikationen & Reinheit

Moligand™, ≥98%

Storage

Protected from light,Room temperature,Desiccated

Verschickt in

Normal

Note

Moligand™

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504757399
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757399
• Kanonisches Lächeln: CC(C)(C)NCC(CSC1=NC(=CS1)C2=CC=C(S2)C(=O)N)O.Cl
• IUPAC Name: 5-[2-[3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide;hydrochloride
• InChIKey: XXDAXBZYUXLDRD-UHFFFAOYSA-N
• INCHI: 1S/C15H21N3O2S3.ClH/c1-15(2,3)17-6-9(19)7-21-14-18-10(8-22-14)11-4-5-12(23-11)13(16)20;/h4-5,8-9,17,19H,6-7H2,1-3H3,(H2,16,20);1H
• Isomere SMILES: CC(C)(C)NCC(CSC1=NC(=CS1)C2=CC=C(S2)C(=O)N)O.Cl
• Alternative CAS-Nummer: 68377-92-4
• Molekulargewicht: 407.99
• Reaxy-Rn: 10042125
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10042125&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Thiophenes
      • Subclass Thiophene carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Thiophenes
• Subclass: Thiophene carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiophene carboxamides
• Alternative Parents: 2-heteroaryl carboxamides 2,4-disubstituted thiazoles 2,5-disubstituted thiophenes Alkylarylthioethers Heteroaromatic compounds 1,2-aminoalcohols Amino acids and derivatives Primary carboxylic acid amides Secondary alcohols Dialkylamines Azacyclic compounds Sulfenyl compounds Hydrochlorides Hydrocarbon derivatives Organopnictogen compounds Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-heteroaryl carboxamide - Aryl thioether - Thiophene carboxamide - 2,4-disubstituted 1,3-thiazole - 2,5-disubstituted thiophene - Alkylarylthioether - Azole - Thiazole - Heteroaromatic compound - Amino acid or derivatives - 1,2-aminoalcohol - Carboxamide group - Secondary alcohol - Primary carboxylic acid amide - Azacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Secondary amine - Secondary aliphatic amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Amine - Hydrochloride - Alcohol - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as thiophene carboxamides. These are compounds containing a thiophene ring which bears a carboxamide.
• 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive
• Schmelzpunkt (°C): 236°C(dec.)(lit.)
• Molekulargewicht: 408.000 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 407.056 Da
• Monoisotopic Mass: 407.056 Da
• Topological Polar Surface Area: 170.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 406.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature, protected from light, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 68377-91-3, the molecular formula is C15H21N3O2S3?HCl, and the molecular weight is 407.99 g/mol. InChIKey XXDAXBZYUXLDRD-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.