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Substance Name: VA 5-140
RN: 80909-30-4
InChIKey: CGIULJHSBNHLGG-YWCGHJHESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C38-H50-I6-N6-O19

Molecular Weight

  • 1656.236
 
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Names and Synonyms

Results Name

  • VA 5-140

Synonym

  • VA 5-140

Systematic Name

  • 1,3-Benzenedicarboxamide, 5,5'-(oxybis((1-oxo-2,1-ethanediyl)(methylimino)))bis(N,N'-bis(2,3-dihydroxy-1-(hydroxymethyl)propyl)-2,4,6-triiodo-, stereoisomer

Registry Numbers

CAS Registry Number

  • 80909-30-4

System Generated Number

  • 0080909304

Structure Descriptors

InChI

1S/C38H50I6N6O19/c39-27-23(35(65)45-11(3-51)19(61)7-55)29(41)33(30(42)24(27)36(66)46-12(4-52)20(62)8-56)49(15-1-17(15)59)69-50(16-2-18(16)60)34-31(43)25(37(67)47-13(5-53)21(63)9-57)28(40)26(32(34)44)38(68)48-14(6-54)22(64)10-58/h11-22,51-64H,1-10H2,(H,45,65)(H,46,66)(H,47,67)(H,48,68)/t11-,12?,13-,14?,15?,16?,17?,18?,19?,20?,21?,22?/m1/s1

InChIKey

CGIULJHSBNHLGG-YWCGHJHESA-N

Smiles

C1C(C1O)N(c2c(c(c(c(c2I)C(=O)NC(CO)C(CO)O)I)C(=O)N[C@H](CO)C(CO)O)I)ON(c3c(c(c(c(c3I)C(=O)NC(CO)C(CO)O)I)C(=O)N[C@H](CO)C(CO)O)I)C4CC4O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous > 26gm/kg (26000mg/kg)   Radiology. Vol. 142, Pg. 115, 1982.