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25295-51-6

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Basic Information
CAS No.: 25295-51-6
Name: disodium 4,4'-bis[[4-amino-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate
Molecular Structure:
Molecular Structure of 25295-51-6 (disodium 4,4'-bis[[4-amino-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate)
Formula: C24H28 N12 O8 S2 . 2 Na
Molecular Weight: 720.72
Synonyms: 2,2'-Stilbenedisulfonicacid, 4,4'-bis[[4-amino-6-[(2-hydroxyethyl)amino]-s-triazin-2-yl]amino]-,disodium salt (6CI,7CI,8CI); Benzenesulfonic acid,2,2'-(1,2-ethenediyl)bis[5-[[4-amino-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-,disodium salt (9CI); Sodium 4,4'-bis(2-amino-4-monoethanolamino-6-s-triazinyl)diaminostilbene-2,2'-disulfonate;Tinopal SFP
Density: g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Poison by intravenous route. Moderately toxic by intraperitoneal and subcutaneous routes. When heated to decomposition it emits very toxic fumes of SOx, Na2O, and NOx. See also SULFONATES.
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Chemistry

EINECS of Disodium 4,4'-bis((4-amino-6-((2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonate (CAS NO.25295-51-6): 246-794-4 
Empirical Formula: C24H26N12Na2O8S2
Molecular Weight: 720.6484 
Structure of Disodium 4,4'-bis((4-amino-6-((2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonate (CAS NO.25295-51-6):
                                 
IUPAC Name: Disodium 5-[[4-amino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-amino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
Canonical SMILES: C1=CC(=C(C=C1NC2=NC(=NC(=N2)N)NCCO)S(=O)(=O)[O-])C=CC3=C(C=C(C=C3)NC4=NC(=NC(=N4)N)NCCO)S(=O)(=O)[O-].[Na+].[Na+]
Isomeric SMILES: C1=CC(=C(C=C1NC2=NC(=NC(=N2)N)NCCO)S(=O)(=O)[O-])/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)N)NCCO)S(=O)(=O)[O-].[Na+].[Na+]
InChI: InChI=1S/C24H28N12O8S2.2Na/c25-19-31-21(27-7-9-37)35-23(33-19)29-15-5-3-13(17(11-15)45(39,40)41)1-2-14-4-6-16(12-18(14)46(42,43)44)30-24-34-20(26)32-22(36-24)28-8-10-38;;/h1-6,11-12,37-38H,7-10H2,(H,39,40,41)(H,42,43,44)(H4,25,27,29,31,33,35)(H4,26,28,30,32,34,36);;/q;2*+1/p-2/b2-1+;;
InChIKey: QHBWLNCWLAEYIE-SEPHDYHBSA-L

Toxicity Data With Reference

1.    

ipr-rat LD50:1000 mg/kg

     CTOXAO    Clinical Toxicology. 13 (1978),171.
2.    

scu-mus LD50:500 mg/kg

     CTOXAO    Clinical Toxicology. 13 (1978),171.
3.    

ivn-mus LD50:100 mg/kg

     CTOXAO    Clinical Toxicology. 13 (1978),171.

Safety Profile

Poison by intravenous route. Moderately toxic by intraperitoneal and subcutaneous routes. When heated to decomposition Disodium 4,4'-bis((4-amino-6-((2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonate (CAS NO.25295-51-6) emits very toxic fumes of SOx, Na2O, and NOx. See also SULFONATES.

Specification

 Disodium 4,4'-bis((4-amino-6-((2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonate , its cas register number is 25295-51-6. It also can be called 2,2'-Stilbenedisulfonic acid, 4,4'-bis((4-amino-6-(2-hydroxyethyl)amino-s-triazin-2-yl)amino)-, disodium salt ; Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-amino-6-((2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)-, disodium salt ; and Stilbene-2,2'-disulfonic acid, 4,4'-bis-amino-{(2,2'-hydroxyethylamino-4,4'-amino)-triazine-6-yl}, disodium salt .