Amphibine B

Base Information

• Chemical Name: Amphibine B
• CAS No.: 38541-74-1
• Molecular Formula: C₃₉H₄₇N₅O₅
• Molecular Weight: 665.833
• DSSTox Substance ID: DTXSID50415140
• Metabolomics Workbench ID: 70340
• Wikidata: Q27105765
• Mol file: 38541-74-1.mol

Synonyms:Amphibine B;38541-74-1;C09998;(2S)-N-[(2S,3S)-1-[(3S,7S,10S,13Z)-10-benzyl-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(18),13,15(19),16-tetraen-6-yl]-3-methyl-1-oxopentan-2-yl]-2-(dimethylamino)-3-phenylpropanamide;CHEBI:2681;DTXSID50415140;Q27105765

Chemical Property of Amphibine B

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 938°Cat760mmHg
• Flash Point: 521.1°C
• PSA: 130.55000
• Density: 1.167g/cm³
• LogP: 4.89670
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 665.35771962
• Heavy Atom Count: 49
• Complexity: 1140

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C(C(=O)N1CCC2C1C(=O)NC(C(=O)NC=CC3=CC=C(O2)C=C3)CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)N(C)C
• Isomeric SMILES: CC[C@H](C)[C@@H](C(=O)N1CC[C@H]2[C@H]1C(=O)N[C@H](C(=O)N/C=C\C3=CC=C(O2)C=C3)CC4=CC=CC=C4)NC(=O)[C@H](CC5=CC=CC=C5)N(C)C

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