Vincamine 5-bromonicotinate

Base Information

• Chemical Name: Vincamine 5-bromonicotinate
• CAS No.: 58703-79-0
• Molecular Formula: C27H30BrN3O5
• Molecular Weight: 556.4482
• European Community (EC) Number: 261-397-6
• DSSTox Substance ID: DTXSID90207405
• Mol file: 58703-79-0.mol

Synonyms:Vincamine 5-bromonicotinate;EINECS 261-397-6;58703-79-0;Methyl (3alpha,14beta,16alpha)-14,15-dihydro-14-hydroxyeburnamenine-14-carboxylate, mono(5-bromonicotinate);Eburnamenine-14-carboxylic acid, 14,15-dihydro-14-hydroxy-, methyl ester, (3-alpha,14-beta,16-alpha)-, mono(5-bromo-3-pyridinecarboxylate) (salt);DTXSID90207405;C21H26N2O3.C6H4BrNO2;LS-63707;C21-H26-N2-O3.C6-H4-Br-N-O2

Chemical Property of Vincamine 5-bromonicotinate

Chemical Property:

• Boiling Point: 508.9°Cat760mmHg
• Flash Point: 261.6°C
• PSA: 104.89000
• Density: g/cm³
• LogP: 4.43270
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 555.13688
• Heavy Atom Count: 36
• Complexity: 738

Purity/Quality:

99% ^*data from raw suppliers

VINCAMINE 5-BROMONICOTINATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(C2)(C(=O)OC)O.C1=C(C=NC=C1Br)C(=O)O
• Isomeric SMILES: CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4[C@](C2)(C(=O)OC)O.C1=C(C=NC=C1Br)C(=O)O