Iotrolan

CAS Registry Number®

79770-24-4
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CAS Name

Iotrolan

Molecular Formula

C37H48I6N6O18

Molecular Mass

1626.23

Cite this Page

Iotrolan.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=79770-24-4 (retrieved 2024-04-19) (CAS RN: 79770-24-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=XUHXFSYUBXNTHU-UHFFFAOYSA-N

SMILES

N(C(CC(N(C)C1=C(I)C(C(NC(C(CO)O)CO)=O)=C(I)C(C(NC(C(CO)O)CO)=O)=C1I)=O)=O)(C)C2=C(I)C(C(NC(C(CO)O)CO)=O)=C(I)C(C(NC(C(CO)O)CO)=O)=C2I

Canonical SMILES

O=C(NC(CO)C(O)CO)C=1C(I)=C(C(=O)NC(CO)C(O)CO)C(I)=C(C1I)N(C(=O)CC(=O)N(C=2C(I)=C(C(=O)NC(CO)C(O)CO)C(I)=C(C(=O)NC(CO)C(O)CO)C2I)C)C

Other Names for this Substance

  • 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′-[(1,3-Dioxo-1,3-propanediyl)bis(methylimino)]bis[N,N′-bis[2,3-dihydroxy-1-(hydroxymethyl)propyl]-2,4,6-triiodo-1,3-benzenedicarboxamide
  • Iotrol
  • Iotrolan
  • Compound ZK 39482

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