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Substance Name: Gadobutrol [USAN:INN:JAN]
RN: 770691-21-9
UNII: 1BJ477IO2L
InChIKey: MSLAKNTUVLJNHT-UHFFFAOYSA-O

Classification Codes

  • Contrast Media
  • Diagnostic Uses of Chemicals
  • Imaging Agent

Molecular Formula

  • C18-H31-Gd-N4-O9

Molecular Weight

  • 608.7435
 
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Names and Synonyms

Name of Substance

  • Gadobutrol
  • Gadobutrol [USAN:INN:JAN]

Synonyms

  • Gadavist
  • Gadobutrol
  • Gadograf
  • Gadolinium-DO3A-butriol
  • Gadovist
  • Gd-DO3A-butriol
  • HSDB 8231
  • Protovist
  • UNII-1BJ477IO2L
  • ZK 135079

Systematic Names

  • 10-((1RS,2SR)-2,3-Dihydroxy-1-(hydroxymethyl)propyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triacetato(3-))gadolinium
  • Gadolinium, (10-(2,3-Dihydroxy-1-(hydroxymethyl)propyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triacetato(3-)-N1,N4,N7,N10,O1,O4,O7)-

Registry Numbers

CAS Registry Number

  • 770691-21-9

FDA UNII

  • 1BJ477IO2L

Other Registry Number

  • 138071-82-6

System Generated Number

  • 0770691219

Structure Descriptors

InChI

InChI=1S/C18H34N4O9.Gd/c23-12-14(15(25)13-24)22-7-5-20(10-17(28)29)3-1-19(9-16(26)27)2-4-21(6-8-22)11-18(30)31;/h14-15,23-25H,1-13H2,(H,26,27)(H,28,29)(H,30,31);/q;-1/p+1

InChIKey

MSLAKNTUVLJNHT-UHFFFAOYSA-O

Smiles

OCC1C(CO)[OH][Gd+3]234567[NH]8(CC[NH]2(CC[NH]13CC[NH]4(CC8)CC(=O)[O-]5)CC(=O)[O-]6)CC(=O)[O-]7