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M  END
> <ID>
CHEBI:88205

> <NAME>
Hoffman's violet

> <DEFINITION>
A hydrochloride obtained by combining Hoffman's violet free base with one molar equivalent of hydrogen chloride. A specific stain for animal chromosomes.

> <STAR>
3

> <SYNONYM>
Hofman's Violet; C.I. 42530

> <IUPAC_NAME>
N-ethyl-4-{[4-(ethylamino)phenyl][4-(ethylimino)cyclohexa-2,5-dien-1-ylidene]methyl}-2-methylaniline hydrochloride

> <FORMULA>
C26H32ClN3

> <MASS>
422.006

> <MONOISOTOPIC_MASS>
421.22848

> <CHARGE>
0

> <SMILES>
C(\C=1C=CC(=CC1)NCC)(/C=2C=C(C(=CC2)NCC)C)=C/3\C=C/C(/C=C3)=N\CC.Cl

> <INCHI>
InChI=1S/C26H31N3.ClH/c1-5-27-23-13-8-20(9-14-23)26(21-10-15-24(16-11-21)28-6-2)22-12-17-25(29-7-3)19(4)18-22;/h8-18,27,29H,5-7H2,1-4H3;1H/b26-21-,28-24+;

> <INCHIKEY>
OKNJKIKBMQYONP-ZTFPKQFBSA-N

> <CAS_REGISTRY_NUMBER>
8004-86-2

> <CHEMIDPLUS>
8004-86-2

> <PUBMED_CITATION>
86937

$$$$