Details of the Drug

General Information of Drug (ID: DMSTXWR)

Drug Name
Liotrix
Synonyms
Liotrix; Novothyral; Thyrolar; Combithyrex; Diotroxin; Euthroid; W 1782; 8065-29-0; L-Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-, monosodium salt, mixt. with O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-L-tyrosine monosodium salt; Levothyroxine Sodium mixture with Liothyronine Sodium; Liothyronine Sodium and Levothyroxine Sodium; Monosodium L-thyroxine hydrate mixt. with monosodium L-3-(4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl)alanine
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
1		 Molecular Weight 1471.8
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 8
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 10
Chemical Identifiers
Formula
C30H21I7N2Na2O8
IUPAC Name
disodium;(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate;(2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoate
Canonical SMILES
C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(C(=O)[O-])N)I)I)O.C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(C(=O)[O-])N.[Na+].[Na+]
InChI
LKYWLLWWYBVUPP-XOCLESOZSA-L
InChIKey
1S/C15H11I4NO4.C15H12I3NO4.2Na/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23;16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22;;/h1-2,4-5,12,21H,3,20H2,(H,22,23);1-4,6,12,20H,5,19H2,(H,21,22);;/q;;2*+1/p-2/t2*12-;;/m00../s1
Cross-matching ID
PubChem CID
71371
ChEBI ID
CHEBI:6485
CAS Number
8065-29-0
DrugBank ID
DB01583
INTEDE ID
DR0960

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4)
Main DME 		DE4LYSA CP3A4_HUMAN Substrate [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 A basic conceptual and practical overview of interactions with highly prescribed drugs. Can J Clin Pharmacol. 2002 Winter;9(4):191-8.