methyl (1R,11S,12R,17S)-6-hydroxy-12-[(1S)-1-hydroxyethyl]-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carboxylate

Base Information

• Chemical Name: methyl (1R,11S,12R,17S)-6-hydroxy-12-[(1S)-1-hydroxyethyl]-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carboxylate
• CAS No.: 99694-90-3
• Molecular Formula: C20H24N2O4
• Molecular Weight: 356.42
• DSSTox Substance ID: DTXSID601046352
• Metabolomics Workbench ID: 123959
• Wikipedia: Scholaricine

Synonyms:Scholaricine;99694-90-3;DTXSID601046352;HY-N1251;AKOS040762313;CS-0016654

Chemical Property of methyl (1R,11S,12R,17S)-6-hydroxy-12-[(1S)-1-hydroxyethyl]-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carboxylate

Chemical Property:

• PSA: 82.03000
• LogP: 1.66330
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 356.17360725
• Heavy Atom Count: 26
• Complexity: 664

Purity/Quality:

98%min ^*data from raw suppliers

Scholaricine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1CN2CCC34C2CC1C(=C3NC5=C4C=CC=C5O)C(=O)OC)O
• Isomeric SMILES: C[C@@H]([C@H]1CN2CC[C@@]34[C@@H]2C[C@@H]1C(=C3NC5=C4C=CC=C5O)C(=O)OC)O

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