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Substance Name: Benzoic acid, 3,3'-(ethylenebis(oxyethyleneoxyethylenecarbonylimino))bis (5-(butyramidomethyl)-2,4,6-triiodo-
RN: 51134-98-6
InChIKey: YJGUFGSANDGQNS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C36-H40-I6-N4-O12

Molecular Weight

  • 1486.1596
 
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Names and Synonyms

  • Benzoic acid, 3,3'-(ethylenebis(oxyethyleneoxyethylenecarbonylimino))bis (5-(butyramidomethyl)-2,4,6-triiodo-

Registry Numbers

CAS Registry Number

  • 51134-98-6

System Generated Number

  • 0051134986

Structure Descriptors

InChI

1S/C36H44I6N4O12/c1-3-5-21(47)43-17-19-27(37)25(35(51)52)31(41)33(29(19)39)45-23(49)7-9-55-11-13-57-15-16-58-14-12-56-10-8-24(50)46-34-30(40)20(18-44-22(48)6-4-2)28(38)26(32(34)42)36(53)54/h3-18H2,1-2H3,(H,43,47)(H,44,48)(H,45,49)(H,46,50)(H,51,52)(H,53,54)

InChIKey

YJGUFGSANDGQNS-UHFFFAOYSA-N

Smiles

CCCC(=O)NCc1c(c(c(c(c1I)NC(=O)CCOCCOCCOCCOCCC(=O)Nc2c(c(c(c(c2I)C(=O)O)I)CNC(=O)CCC)I)I)C(=O)O)I

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 8900mg/kg (8900mg/kg)   Farmaco, Edizione Scientifica. Vol. 28, Pg. 912, 1973.