chempirical

Bisantrene

C22H22N8CAS 78186-34-2398.47 g/mol

Open in Covalent MOL file
NHNNNHNNHNHN
GuanidineHydrazone

Properties

Molecular formula
C22H22N8
Molar mass
398.47 g/mol
Exact mass
398.1967 Da
logP
1.76Crippen estimate
Polar surface area
97.6 Ų
H-bond donors / acceptors
4 / 8
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
78186-34-2
SMILES
C(=NNC1=NCCN1)c1c2ccccc2c(C=NNC2=NCCN2)c2ccccc12
InChIKey
NJSMWLQOCQIOPE-UHFFFAOYSA-N
InChI
InChI=1S/C22H22N8/c1-2-6-16-15(5-1)19(13-27-29-21-23-9-10-24-21)17-7-3-4-8-18(17)20(16)14-28-30-22-25-11-12-26-22/h1-8,13-14H,9-12H2,(H2,23,24,29)(H2,25,26,30)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names
  • 9,10-Anthracenedicarboxaldehyde, 9,10-bis[(4,5-dihydro-1H-imidazol-2-yl)hydrazone]
  • 9,10-Anthracenedicarboxaldehyde, bis[(4,5-dihydro-1H-imidazol-2-yl)hydrazone]

Work with Bisantrene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Clonidine4205-90-741 % similar 2-Phenylimidazoline936-49-239 % similar Clonidine hydrochloride4205-91-839 % similar Naphazoline835-31-439 % similar Tolazoline59-98-338 % similar Naphazoline hydrochloride550-99-236 % similar Tolazoline hydrochloride59-97-235 % similar 2-Hydrazino-delta-2-imidazoline hydrobromide55959-84-733 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook