Ceratamine B
AlkaPlorer ID: AK003816
Synonym: None
IUPAC Name: 4-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-(methylamino)-1H-imidazo[4,5-d]azepin-5-one
Structure
SMILES: CNC1=NC2=C(C(=O)N=CC=C2N1)CC3=CC(=C(C(=C3)Br)OC)Br
InChI: InChI=1S/C16H14Br2N4O2/c1-19-16-21-12-3-4-20-15(23)9(13(12)22-16)5-8-6-10(17)14(24-2)11(18)7-8/h3-4,6-7H,5H2,1-2H3,(H2,19,21,22)
InChIKey: KRAXBUZDPZIHER-UHFFFAOYSA-N
Reference
PubChem CID: 11201846
Source
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Properties Information
Molecule Weight: 454.122
TPSA？: 79.9
MolLogP？: 3.484200000000002
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 3
Activities Information
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