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71439-68-4

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Basic Information
CAS No.: 71439-68-4
Name: Bisantrene dihydrochloride
Molecular Structure:
Molecular Structure of 71439-68-4 (Bisantrene dihydrochloride)
Formula: C22H22 N8 . 2 Cl H
Molecular Weight: 471.44
Synonyms: 9,10-Anthracenedicarboxaldehyde,bis[(4,5-dihydro-1H-imidazol-2-yl)hydrazone], dihydrochloride (9CI); ADAH;ADCA; Bisantrene hydrochloride; CL 216942; NSC 337766; Orange Crush; Zantrene
Melting Point: 288-289° (dec)
Boiling Point: 646.3°C at 760 mmHg
Flash Point: 344.7°C
Safety: Mutation data reported. When heated to decomposition it emits toxic fumes of NOx and HCl.
PSA: 97.56000
LogP: 2.87100
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Chemistry

IUPAC Name: N-[(Z)-[10-[(Z)-(4,5-Dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine dihydrochloride
Synonyms of Bisantrene dihydrochloride (CAS NO.71439-68-4): 9,10-Anthracenedicarboxaldehyde bis(2-imidazolin-2-ylhydrazone) dihydrochloride ; 9,10-Anthracenedicarboxaldehyde bis(2-imidazolin-2-ylhydrazone) dihydrochloride ; Bisantrene HCl ; Bisantrene hydrochloride
InChI: InChI=1/C22H22N8.2ClH/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);2*1H/b27-13-,28-14-;;
InChIKey: KINULKKPVJYRON-VCZQZRGZBO
Std. InChI: InChI=1S/C22H22N8.2ClH/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);2*1H/b27-13-,28-14-;;
Std. InChIKey: KINULKKPVJYRON-VCZQZRGZSA-N
CAS NO: 71439-68-4
Molecular Formula: C22H24Cl2N8
Molecular Weight: 471.3856
Molecular Structure :
H bond acceptors: 8
H bond donors: 4
Freely Rotating Bonds: 4
Polar Surface Area: 62.4 Å2
Flash Point: 344.7 °C
Enthalpy of Vaporization: 95.33 kJ/mol
Boiling Point: 646.3 °C at 760 mmHg
Vapour Pressure: 1.36E-16 mmHg at 25°C

Toxicity Data With Reference

1.    

dnd-mus:leu 620 µg/L

     CNREA8    Cancer Research. 42 (1982),2660.
2.    

dni-mus:leu 2300 nmol/L

     CNREA8    Cancer Research. 42 (1982),440.
3.    

oms-mus:leu 1 µmol/L

     CNREA8    Cancer Research. 42 (1982),440.

Safety Profile

Mutation data reported. When Bisantrene dihydrochloride (CAS NO.71439-68-4) is heated to decomposition ,it emits toxic fumes of NOx and HCl.