Ephedradine B

Base Information

• Chemical Name: Ephedradine B
• CAS No.: 71327-57-6
• Molecular Formula: C29H38N4O5
• Molecular Weight: 522.645
• DSSTox Substance ID: DTXSID80221519
• Nikkaji Number: J1.221.887G
• Wikidata: Q83099324
• Mol file: 71327-57-6.mol

Synonyms:Ephedradine B;71327-57-6;DTXSID80221519;4H-1,16-Etheno-5,15-(propaniminoethano)furo(3,4-l)(1,5,10)triazacyclohexadecine-4,21-dione, 3,3a,6,7,8,9,10,11,12,13,14,15-dodecahydro-3-(4-hydroxy-3-methoxyphenyl)-, (3R-(3R*,3aR*,15S*))-

Chemical Property of Ephedradine B

Chemical Property:

• Vapor Pressure: 8.86E-24mmHg at 25°C
• Boiling Point: 757.9°Cat760mmHg
• Flash Point: 412.2°C
• PSA: 115.65000
• Density: 1.3g/cm³
• LogP: 3.63230
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 522.28422033
• Heavy Atom Count: 38
• Complexity: 799

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C2C3C4=C(O2)C=CC(=C4)C5CC(=O)NCCCN(C3=O)CCCCNCCCN5)O
• Isomeric SMILES: COC1=C(C=CC(=C1)[C@H]2[C@H]3C4=C(O2)C=CC(=C4)[C@@H]5CC(=O)NCCCN(C3=O)CCCCNCCCN5)O