Carvedilol EP Impurity A - ≥95% , CAS No.1198090-73-1

CAS: 1198090-73-1 Cat. No.: C418541 Formula: C₃₆H₄₃N₃O₇ Peso molecolare: 629.74 Numero EC: 688-002-3

GRADE & PURITY ≥95%

Synonyms

N-2-Hydroxy-3-[[2-(methoxyphenoxy)ethyl]amine Carvedilol | A1-02993 | 1-[[9-[2-Hydroxy-3-[[2-(2-methoxy-phenoxy)ethyl]amino]propyl]-9H-carbazol-4-yl]oxy]-3-[[2-(2-methoxyphenoxy)ethyl]amino]-propan-2-ol | 1-{{9-{2-Hydroxy-3-{[2-(2-methoxyphenoxy)ethyl]ami

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Used as pharmaceutical intermediates-Intermediates

Specifications

Sinonimi

N-2-Hydroxy-3-[[2-(methoxyphenoxy)ethyl]amine Carvedilol | A1-02993 | 1-[[9-[2-Hydroxy-3-[[2-(2-methoxy-phenoxy)ethyl]amino]propyl]-9H-carbazol-4-yl]oxy]-3-[[2-(2-methoxyphenoxy)ethyl]amino]-propan-2-ol | 1-{{9-{2-Hydroxy-3-{[2-(2-methoxyphenoxy)ethyl]ami

Specifiche e purezza

≥95%

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

≥95%

Nomi e identificatori

• Pubchem Sid: 488202230
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202230
• Sorrisi canonici: COC1=CC=CC=C1OCCNCC(CN2C3=C(C4=CC=CC=C42)C(=CC=C3)OCC(CNCCOC5=CC=CC=C5OC)O)O
• IUPAC Name: 1-[4-[2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propoxy]carbazol-9-yl]-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
• InChIKey: BUCQRVKKTLMWQH-UHFFFAOYSA-N
• INCHI: 1S/C36H43N3O7/c1-42-31-13-5-7-15-33(31)44-20-18-37-22-26(40)24-39-29-11-4-3-10-28(29)36-30(39)12-9-17-35(36)46-25-27(41)23-38-19-21-45-34-16-8-6-14-32(34)43-2/h3-17,26-27,37-38,40-41H,18-25H2,1-2H3
• Isomeri SMILES: COC1=CC=CC=C1OCCNCC(CN2C3=C(C4=CC=CC=C42)C(=CC=C3)OCC(CNCCOC5=CC=CC=C5OC)O)O
• Peso molecolare: 629.74
• Reaxy-Rn: 19697187
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19697187&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbazoles
• Alternative Parents: N-alkylindoles Indoles Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Secondary alcohols 1,2-aminoalcohols Dialkylamines Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - N-alkylindole - Indole - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Benzenoid - Substituted pyrrole - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Secondary alcohol - 1,2-aminoalcohol - Secondary amine - Azacycle - Ether - Secondary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Alcohol - Organonitrogen compound - Organooxygen compound - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.
• 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

• Solubilità: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly, Heated, Sonicated)
• Punto di fusione (°C): 112-117°C
• Peso molecolare: 629.700 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 19
• Exact Mass: 629.31 Da
• Monoisotopic Mass: 629.31 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 46
• Formal Charge: 0
• Complexity: 841.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 are the CAS number, molecular formula and molecular weight?

The CAS Number is 1198090-73-1, the molecular formula is C36H43N3O7, and the molecular weight is 629.74 g/mol. InChIKey BUCQRVKKTLMWQH-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.