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Substance Name: Gadobenate Dimeglumine [USAN]
RN: 127000-20-8
UNII: 3Q6PPC19PO
InChIKey: OCDAWJYGVOLXGZ-VPVMAENOSA-K

Classification Codes

  • Diagnostic Aid
  • Diagnostic Aid (Paramagnetic)
  • Drug / Therapeutic Agent
  • Paramagnetic

Molecular Formula

  • C22-H28-Gd-N3-O11.2C7-H17-N-O5

Molecular Weight

  • 1061.1735
 
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Names and Synonyms

Name of Substance

  • Gadobenate Dimeglumine
  • Gadobenate Dimeglumine [USAN]
  • Gadobenic acid

Synonyms

  • B 1903617
  • B19036/7
  • Dihydrogen ((+-)-4-carboxy-5,8,11-tris(carboxymethyl)-1-phenyl-2-oxa-5,8,11-triazatridecan-13-oato(5-))gadolinate(2-), compound with 1-deoxy-1-(methylamino)-D-glucitol (1:2)
  • Gadobenate Dimeglumine
  • Gadobenate Meglumine
  • Gadobenic acid dimeglumine salt
  • Gadolinate(2-), (4-carboxy-5,8,11-tris(carboxymethyl)-1-phenyl-2-oxa-5,8,11-triazatridecan-13-oato(5-)-N(sup 5),N(sup 8),N(sup 11),O(sup 4),O(sup 5),O(sup 8),O(sup 11),O(sup 13))-, dihydrogen, comp. with 1-deoxy-1-(methylamino)-D-glucitol (1:2)
  • Gd-Bopta/dimeg
  • HSDB 7546
  • Multihance
  • Multihance multipack
  • UNII-3Q6PPC19PO

Systematic Names

  • D-Glucitol, 1-deoxy-1-(methylamino)-, (4-carboxy-5,8,11-tris(carboxymethyl)-1-phenyl-2-oxa-5,8,11-triazatridecan-13-oato(5-)-N(sup 5),N(sup 8),N(sup 11),O(sup 4),O(sup 5),O(sup 8), O(sup 11),O(sup 13)-gadolinate(2-) (2:1)
  • Gadolinate(2-), (4-carboxy-5,8,11-tris(carboxymethyl)-1-phenyl-2-oxa-5,8,11-triazatridecan-13-oato(5-)-N5,N8,N11,O4,O5,O8,O11,O13)-, dihydrogen, comp. with 1-deoxy-1-(methylamino)-D-glucitol (1:2)

Registry Numbers

CAS Registry Number

  • 127000-20-8

FDA UNII

  • 3Q6PPC19PO

Other Registry Number

  • 133775-51-6

Related Registry Number

  • 113662-23-0 (Parent)

System Generated Number

  • 0127000208

Molecular Formulas

Molecular Formula

  • C22-H28-Gd-N3-O11.2C7-H17-N-O5

Molecular Formula Fragments

  • C22-H28-Gd-N3-O11
  • C7-H17-N-O5
  • COMPONENT

Structure Descriptors

InChI

1S/C22H31N3O11.2C7H17NO5.Gd/c26-18(27)10-23(6-7-24(11-19(28)29)12-20(30)31)8-9-25(13-21(32)33)17(22(34)35)15-36-14-16-4-2-1-3-5-16;2*1-8-2-4(10)6(12)7(13)5(11)3-9;/h1-5,17H,6-15H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35);2*4-13H,2-3H2,1H3;/q;;;+3/p-3/t;2*4-,5+,6+,7+;/m.00./s1

InChIKey

OCDAWJYGVOLXGZ-VPVMAENOSA-K

Smiles

[H+].[H+].CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.c1ccc(cc1)COCC2C(=O)[O-][Gd+3]345678N2(CCN3(CCN4(CC(=O)[O-]5)CC(=O)[O-]6)CC(=O)[O-]7)CC(=O)[O-]8

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 6349mg/kg (6349mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

CARDIAC: PULSE RATE

KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED
Journal of Toxicological Sciences. Vol. 24(Suppl,
mouse LD50 intravenous > 10582mg/kg (10582mg/kg)   Drugs of the Future. Vol. 16, Pg. 1001, 1991.
rabbit LD intramuscular > 500uL/kg (0.5mL/kg) BLOOD: HEMORRHAGE

MUSCULOSKELETAL: OTHER CHANGES
Journal of Toxicological Sciences. Vol. 24(Suppl,
rat LD50 intracrebral 265mg/kg (265mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Journal of Toxicological Sciences. Vol. 24(Suppl,
rat LD50 intravenous 6582mg/kg (6582mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Journal of Toxicological Sciences. Vol. 24(Suppl,