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]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
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
TTD ID
D0P1IZ

References

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