Hapalindole B

Base Information

• Chemical Name: Hapalindole B
• CAS No.: 92219-96-0
• Molecular Formula: C21H23ClN2S
• Molecular Weight: 370.93872
• DSSTox Substance ID: DTXSID101335336
• Metabolomics Workbench ID: 163742
• Nikkaji Number: J147.289E
• Wikidata: Q105035463
• Mol file: 92219-96-0.mol

Synonyms:Hapalindole B;Hapalidole B;(-)-Hapalindole B;92219-96-0;MLS004797561;SCHEMBL10575482;CHEBI:211994;DTXSID101335336;SMR003519686;(2R,3R,4R,5R,7S)-5-chloro-4-ethenyl-3-isothiocyanato-4,8,8-trimethyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),9(16),10,12-tetraene

Chemical Property of Hapalindole B

Chemical Property:

• PSA: 60.24000
• LogP: 5.83370
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 370.1270476
• Heavy Atom Count: 25
• Complexity: 613

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C2CC(C(C(C2C3=CNC4=CC=CC1=C43)N=C=S)(C)C=C)Cl)C
• Isomeric SMILES: C[C@@]1([C@@H](C[C@H]2[C@@H]([C@H]1N=C=S)C3=CNC4=CC=CC(=C43)C2(C)C)Cl)C=C