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Substance Name: Iotrolan [USAN:INN:BAN:JAN]
RN: 79770-24-4
UNII: 16FL47B687
InChIKey: XUHXFSYUBXNTHU-UHFFFAOYSA-N

Note

  • Nonionic, isotonic contrast medium designed for intrathecal use.

Molecular Formula

  • C37-H48-I6-N6-O18

Molecular Weight

  • 1626.21
 

Classification Codes

  • Contrast Media
  • Diagnostic Aid (Radiopaque Medium)
  • Diagnostic Uses of Chemicals
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Names and Synonyms

Name of Substance

  • Iotrolan
  • Iotrolan [USAN:INN:BAN:JAN]

Synonyms

  • 1,3-Benzenedicarboxamide, 5,5'-((1,3-dioxo-1,3-propanediyl)bis(methylimino))bis(N,N'-bis(2,3-dihydroxy-1-(hydroxymethyl)propyl)-2,4,6-triiodo-
  • 5,5'-(Malonylbis(methylimino))bis(N,N'-bis(2,3-dihydroxy-1-(hydroxymethyl)propyl)-2,4,6-triiodoisophthalamide)
  • DL 3-117
  • DL-3117
  • Iotrol
  • Iotrolan
  • Iotrolanum
  • Iotrolanum [Latin]
  • Iotrolum
  • Iotrolum [INN-Latin]
  • Iotrovist
  • Isovist
  • Osmovist
  • Osmovist 190
  • Osmovist 240
  • SH 437
  • UNII-16FL47B687
  • ZK 39 482
  • ZK 39482

Systematic Name

  • 1,3-Benzenedicarboxamide, 5,5'-((1,3-dioxo-1,3-propanediyl)bis(methylimino))bis(N,N'-bis(2,3-dihydroxy-1-(hydroxymethyl)propyl)-2,4,6-triiodo-

Registry Numbers

CAS Registry Number

  • 79770-24-4

FDA UNII

  • 16FL47B687

System Generated Number

  • 0079770244

Structure Descriptors

InChI

1S/C37H48I6N6O18/c1-48(32-28(40)22(34(64)44-12(4-50)16(58)8-54)26(38)23(29(32)41)35(65)45-13(5-51)17(59)9-55)20(62)3-21(63)49(2)33-30(42)24(36(66)46-14(6-52)18(60)10-56)27(39)25(31(33)43)37(67)47-15(7-53)19(61)11-57/h12-19,50-61H,3-11H2,1-2H3,(H,44,64)(H,45,65)(H,46,66)(H,47,67)

InChIKey

XUHXFSYUBXNTHU-UHFFFAOYSA-N

Smiles

c1(c(c(c(I)c(c1I)C(N[C@@H]([C@@H](CO)O)CO)=O)C(N[C@@H]([C@@H](CO)O)CO)=O)I)N(C(CC(N(c1c(c(c(I)c(c1I)C(N[C@@H]([C@@H](CO)O)CO)=O)C(N[C@@H]([C@@H](CO)O)CO)=O)I)C)=O)=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous > 32gm/kg (32000mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 25, Pg. 815, 1994.
mouse LD50 intravenous > 56gm/kg (56000mg/kg)   Radiology. Vol. 142, Pg. 115, 1982.
mouse LD50 oral > 32gm/kg (32000mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 18, Pg. 1030, 1987.
mouse LD50 subcutaneous > 32gm/kg (32000mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 18, Pg. 1030, 1987.
rat LD50 intracrebral 2352mg/kg (2352mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 25, Pg. 815, 1994.
rat LD50 intraperitoneal > 32gm/kg (32000mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 18, Pg. 1030, 1987.
rat LD50 intravenous 27gm/kg (27000mg/kg)   Radiology. Vol. 142, Pg. 115, 1982.
rat LD50 oral > 32gm/kg (32000mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 18, Pg. 1030, 1987.
rat LD50 subcutaneous > 32gm/kg (32000mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 18, Pg. 1030, 1987.
rat LD50 unreported 2354mg/kg (2354mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 23, Pg. 93, 1992.