Details of the Drug

General Information of Drug (ID: DMYQ9SX)

• Drug Name: Gadobutrol
• Synonyms: Gadavist (TN)

Indication

Disease Entry	ICD 11	Status	REF
Blood brain barrier	5C61.5	Approved	[1]

• Affected Organisms: Humans and other mammals
• ATC Code:
  V08CA09: Gadobutrol
  V08CA: Paramagnetic contrast media
  V08C: MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
  V08: CONTRAST MEDIA
  V: VARIOUS
• Drug Type: Small molecular drug
• Chemical Identifiers:
  Formula: C18H31GdN4O9
  Canonical SMILES: C1CN(CCN(CCN(CCN1CC(=O)[O-])CC(=O)[O-])C(CO)C(CO)O)CC(=O)[O-].[Gd+3]
  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;+3/p-3/t14-,15-;/m1./s1
  InChIKey: ZPDFIIGFYAHNSK-CTHHTMFSSA-K
• Cross-matching ID:
  PubChem CID: 6102852
  CAS Number: 770691-21-9
  UNII: 1BJ477IO2L
  DrugBank ID: DB06703
  TTD ID: D0P1IZ

References

• [1] 2011 FDA drug approvals. Nat Rev Drug Discov. 2012 Feb 1;11(2):91-4.