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4-[(3,5-Dibromo-4-methoxyphenyl)methyl]-2-(methylamino)imidazo[4,5-d]azepin-5(6H)-one

4-[(3,5-Dibromo-4-methoxyphenyl)methyl]-2-(methylamino)imidazo[4,5-d]azepin-5(6H)-one structure

CAS No:
634151-16-9
Formula:
C16H14Br2N4O2
Chemical Name:
4-[(3,5-Dibromo-4-methoxyphenyl)methyl]-2-(methylamino)imidazo[4,5-d]azepin-5(6H)-one
Synonyms:
Imidazo[4,5-d]azepin-5(6H)-one,4-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-(methylamino)-;4-[(3,5-Dibromo-4-methoxyphenyl)methyl]-2-(methylamino)imidazo[4,5-d]azepin-5(6H)-one;Ceratamine B

Description

Ceratamine B is an organic heterobicyclic compound, which is imidazo[4,5-d]azepin-5(6H)-one substituted by a 3,5-dibromo-4-methoxybenzyl group at position 4 and a methylamino group at position 2. It is an antimitotic alkaloid isolated from the marine sponge Pseudoceratina. It has a role as a metabolite and an antimitotic. It is an organobromine compound, an organic heterobicyclic compound and an alkaloid.

4-[(3,5-Dibromo-4-methoxyphenyl)methyl]-2-(methylamino)imidazo[4,5-d]azepin-5(6H)-one Basic Attributes

Molecular Weight：

454.11596

Exact Mass：

454.12

DSSTox ID：

DTXSID40458581

Characteristics

PSA：

75.1

XLogP3：

1.8

Density：

1.81±0.1 g/cm3(Predicted)

Melting Point：

242 °C @ Solvent: Methanol

Drug Information

MeSH Entry Terms：

ceratamine B

4-[(3,5-Dibromo-4-methoxyphenyl)methyl]-2-(methylamino)imidazo[4,5-d]azepin-5(6H)-one Use and Manufacturing

An antimitotic heterocyclic alkaloid isolated from the marine sponge Pseudoceratina sp. collected in Papua New Guinea.

Computed Properties

Molecular Weight:454.12
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:453.94630
Monoisotopic Mass:451.94835
Topological Polar Surface Area:75.1
Heavy Atom Count:24
Complexity:645
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[(3,5-Dibromo-4-methoxyphenyl)methyl]-2-(methylamino)imidazo[4,5-d]azepin-5(6H)-one

Description
Basic Attributes
Characteristics
Drug Information
Use and Manufacturing
Computed Properties

4-[(3,5-Dibromo-4-methoxyphenyl)methyl]-2-(methylamino)imidazo[4,5-d]azepin-5(6H)-one

SDS

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