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102259-67-6

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Basic Information
CAS No.: 102259-67-6
Name: 6-((4-(DIETHYLAMINO)-1-METHYLBUTYL)-AMINO)-2-METHYL-4,5,8-TRIMETHOXY-QUINOLINE-1,5-NAPHTHALENE DISULFONATE
Molecular Structure:
Molecular Structure of 102259-67-6 (6-((4-(DIETHYLAMINO)-1-METHYLBUTYL)-AMINO)-2-METHYL-4,5,8-TRIMETHOXY-QUINOLINE-1,5-NAPHTHALENE DISULFONATE			)
Formula: C22H35N3O3•C10H8O6S2
Molecular Weight: 677.90
Safety: Poison by intraperitoneal and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx and SOx.
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Chemistry

IUPAC Name: 1-N,1-N-Diethyl-4-N-(4,5,8-Trimethoxy-2-methylquinolin-6-yl)pentane-1,4-diamine ; naphthalene-1,5-disulfonic acid 
Following is the structure of 6-((4-(Diethylamino)-1-methylbutyl)-amino)-2-methyl-4,5,8-trimethoxy-quinoline-1,5-naphthalene disulfonate (CAS NO.102259-67-6):
                             
Molecular Formula: C32H43N3O9S2
Molecular Weight of 6-((4-(Diethylamino)-1-methylbutyl)-amino)-2-methyl-4,5,8-trimethoxy-quinoline-1,5-naphthalene disulfonate (CAS NO.102259-67-6): 677.82852 g/mol
Canonical SMILES: CCN(CC)CCCC(C)NC1=CC(=C2C(=C1OC)C(=CC(=N2)C)OC)OC.C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O
InChI: InChI=1S/C22H35N3O3.C10H8O6S2/c1-8-25(9-2)12-10-11-15(3)23-17-14-19(27-6)21-20(22(17)28-7)18(26-5)13-16(4)24-21;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h13-15,23H,8-12H2,1-7H3;1-6H,(H,11,12,13)(H,14,15,16)
InChIKey: VHQPYFWWPZINPP-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

ipr-mus LD50:60 mg/kg

    ARZNAD    Arzneimittel-Forschung. Drug Research. 20 (1970),1775.
2.    

ivn-brd LD50:51 mg/kg

    ARZNAD    Arzneimittel-Forschung. Drug Research. 20 (1970),1775.

Safety Profile

Poison by intraperitoneal and intravenous routes. When heated to decomposition, 6-((4-(Diethylamino)-1-methylbutyl)-amino)-2-methyl-4,5,8-trimethoxy-quinoline-1,5-naphthalene disulfonate (CAS NO.102259-67-6) emits very toxic fumes of NOx and SOx.

Specification

 6-((4-(Diethylamino)-1-methylbutyl)-amino)-2-methyl-4,5,8-trimethoxy-quinoline-1,5-naphthalene disulfonate , its cas register number is 102259-67-6. It also can be called Quinoline, 6-((4-(diethylamino)-1-methylbutyl)amino)-2-methyl-4,5,8-trimethoxy-, 1,5-naphthalenedisulfonate . Its classification code is Drug / Therapeutic Agent.