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Substance Name: 4,4'-Bis(4-(dietanolamino)-6-methoxy-5-triazin-2-ylamino)-2,2'-stilbenedisulfonic acid
RN: 34391-94-1
InChIKey: NXVLPCPHELYQAF-ONEGZZNKSA-N

Molecular Formula

  • C30-H38-N10-O12-S2

Molecular Weight

  • 794.82
 
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Names and Synonyms

Results Name

  • 4,4'-Bis(4-(dietanolamino)-6-methoxy-5-triazin-2-ylamino)-2,2'-stilbenedisulfonic acid

Systematic Name

  • Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-methoxy-1,3,5-triazin-2-yl)amino)-

Registry Numbers

CAS Registry Number

  • 34391-94-1

System Generated Number

  • 0034391941

Structure Descriptors

InChI

1S/C30H38N10O12S2/c1-51-29-35-25(33-27(37-29)39(9-13-41)10-14-42)31-21-7-5-19(23(17-21)53(45,46)47)3-4-20-6-8-22(18-24(20)54(48,49)50)32-26-34-28(38-30(36-26)52-2)40(11-15-43)12-16-44/h3-8,17-18,41-44H,9-16H2,1-2H3,(H,45,46,47)(H,48,49,50)(H,31,33,35,37)(H,32,34,36,38)/b4-3+

InChIKey

NXVLPCPHELYQAF-ONEGZZNKSA-N

Smiles

C(=C\c1c(cc(cc1)Nc1nc(nc(n1)N(CCO)CCO)OC)S(=O)(=O)O)\c1c(cc(cc1)Nc1nc(nc(n1)N(CCO)CCO)OC)S(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 15gm/kg (15000mg/kg)   MVC-Report. Vol. 2, Pg. 193, 1973.