General Information of Drug (ID: DMI1R4F)

Drug Name
Pentetate calcium trisodium
Synonyms Calcium trisodium pentetate; Trisodium calcium diethylenetriaminepentaacetate; Ca-DTPA
Indication
Disease Entry ICD 11 Status REF
Acute radiation syndrome NF00 Approved [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
Chemical Identifiers
Formula
C14H18CaN3Na3O10
Canonical SMILES
C(CN(CC(=O)[O-])CC(=O)[O-])N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Ca+2]
InChI
1S/C14H23N3O10.Ca.3Na/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;;;;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);;;;/q;+2;3*+1/p-5
InChIKey
AYFCVLSUPGCQKD-UHFFFAOYSA-I
Cross-matching ID
PubChem CID
25513
CAS Number
12111-24-9
TTD ID
D09NFN

References

1 2004 approvals: the demise of the blockbuster. Nat Rev Drug Discov. 2005 Feb;4(2):93-4.