Rauwolscine

Base Information

• Chemical Name: Rauwolscine
• CAS No.: 182509-57-5
• Molecular Formula: C21H26 N2 O3
• Molecular Weight: 0
• European Community (EC) Number: 205-006-9
• UNII: T4LJ7LU45W
• DSSTox Substance ID: DTXSID2045608
• Nikkaji Number: J5.556E
• Wikipedia: Rauwolscine
• Wikidata: Q7296272
• Pharos Ligand ID: GL6W5QFSSVR4
• Metabolomics Workbench ID: 57044
• ChEMBL ID: CHEMBL10347
• Mol file: 182509-57-5.mol

Synonyms:Aphrodine Hydrochloride;Aphrodyne;Corynanthine;Corynanthine Tartrate;Hydrochloride, Aphrodine;Hydrochloride, Yohimbine;Pluriviron;Rauhimbine;Rauwolscine;Tartrate, Corynanthine;Yocon;Yohimbin Spiegel;Yohimbine;Yohimbine Houdé;Yohimbine Hydrochloride;Yohimex

Chemical Property of Rauwolscine

Chemical Property:

• Vapor Pressure: 1.27E-12mmHg at 25°C
• Boiling Point: 543°Cat760mmHg
• Flash Point: 282.2°C
• PSA: 65.56000
• Density: g/cm³
• LogP: 2.58500
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 354.19434270
• Heavy Atom Count: 26
• Complexity: 555

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O
• Isomeric SMILES: COC(=O)[C@@H]1[C@H](CC[C@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O