Manidipine - Moligand™, ≥99% , CAS No.89226-50-6

CAS: 89226-50-6 Cat. No.: M129516 Fórmula: C₃₅H₃₈N₄O₆ Peso molecular: 610.699 Número EC: 855-394-4

GRADE & PURITY Moligand™, ≥99%

Synonyms

CV 4093 | HMS3884D21 | AKOS016842350 | Manidipine (Manyper) | 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(4-(diphenylmethyl)-1-piperazinyl)ethyl methyl ester | FT-0631098 | MFCD00871291 | CCG-213069 | s2481 | 6O4754US88

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

CV 4093 | HMS3884D21 | AKOS016842350 | Manidipine (Manyper) | 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(4-(diphenylmethyl)-1-piperazinyl)ethyl methyl ester | FT-0631098 | MFCD00871291 | CCG-213069 | s2481 | 6O4754US88

Especificaciones y pureza

Moligand™, ≥99%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 504750737
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504750737
• Sonrisas canónicas: CC1=C(C(C(=C(N1)C)C(=O)OCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC
• IUPAC Name: 5-O-[2-(4-benzhydrylpiperazin-1-yl)ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
• InChIKey: ANEBWFXPVPTEET-UHFFFAOYSA-N
• INCHI: 1S/C35H38N4O6/c1-24-30(34(40)44-3)32(28-15-10-16-29(23-28)39(42)43)31(25(2)36-24)35(41)45-22-21-37-17-19-38(20-18-37)33(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-16,23,32-33,36H,17-22H2,1-3H3
• Isómeros SMILES: CC1=C(C(C(=C(N1)C)C(=O)OCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC
• CAS alternativo: 89226-50-6,89226-75-5 (di-hydrochloride)
• Términos de entrada MeSH: (+)-manidipine;(+)-manidipine dihydrochloride;(-)-manidipine;(-)-manidipine dihydrochloride;(R)-(-)-manidipine;(R)-(-)-manidipine dihydrochloride;(R)-manidipine;(R)-manidipine dihydrochloride;(S)-(+)-manidipine;(S)-(+)-manidipine dihydrochloride;(S)-manid
• Peso molecular: 610.699
• Reaxy-Rn: 5788174
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5788174&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Dihydropyridinecarboxylic acids and derivatives Nitrobenzenes Nitroaromatic compounds Aralkylamines N-alkylpiperazines Dicarboxylic acids and derivatives Vinylogous amides Enoate esters Methyl esters Amino acids and derivatives Trialkylamines Azacyclic compounds Enamines Propargyl-type 1,3-dipolar organic compounds Dialkylamines Organic oxoazanium compounds Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic zwitterions Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - Dihydropyridinecarboxylic acid derivative - Nitrobenzene - Nitroaromatic compound - Dihydropyridine - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - Dicarboxylic acid or derivatives - Hydropyridine - Piperazine - Vinylogous amide - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - C-nitro compound - Amino acid or derivatives - Organic nitro compound - Tertiary aliphatic amine - Tertiary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Secondary amine - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic zwitterion - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 610.700 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 11
• Exact Mass: 610.279 Da
• Monoisotopic Mass: 610.279 Da
• Topological Polar Surface Area: 117.000 Ų
• Heavy Atom Count: 45
• Formal Charge: 0
• Complexity: 1090.000
• 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