(9S-(9alpha,10alpha,12alpha))-2-Amino-9,10,11,12-tetrahydro-10-hy droxy-10-(hydroxymethyl)-9-methyl-9,12-epoxy-1H-diindolo(1,2,3-fg:3',2',1'-kl)pyrrolo(3,4-I)(1,6)benzodiazocine-1,3(2H)-dione

Base Information

• Chemical Name: (9S-(9alpha,10alpha,12alpha))-2-Amino-9,10,11,12-tetrahydro-10-hy droxy-10-(hydroxymethyl)-9-methyl-9,12-epoxy-1H-diindolo(1,2,3-fg:3',2',1'-kl)pyrrolo(3,4-I)(1,6)benzodiazocine-1,3(2H)-dione
• CAS No.: 118777-50-7
• Molecular Formula: C26H20 N4 O5
• Molecular Weight: 468.4608
• DSSTox Substance ID: DTXSID80922771
• Nikkaji Number: J480.064H
• Mol file: 118777-50-7.mol

Synonyms:KT 6124;KT-6124;KT6124

Chemical Property of (9S-(9alpha,10alpha,12alpha))-2-Amino-9,10,11,12-tetrahydro-10-hy droxy-10-(hydroxymethyl)-9-methyl-9,12-epoxy-1H-diindolo(1,2,3-fg:3',2',1'-kl)pyrrolo(3,4-I)(1,6)benzodiazocine-1,3(2H)-dione

Chemical Property:

• Vapor Pressure: 3.92E-21mmHg at 25°C
• Boiling Point: 709.6°C at 760 mmHg
• Flash Point: 382.9°C
• Density: 1.82g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 468.14336975
• Heavy Atom Count: 35
• Complexity: 995

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)C(=O)N(C6=O)N)(CO)O
• Isomeric SMILES: C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)C(=O)N(C6=O)N)(CO)O