Details of the Drug

General Information of Drug (ID: DMFGQ2S)

Drug Name
Erythrityl Tetranitrate
Synonyms
Cardilate; Cardiloid; Cardivell; Cardiwell; Erythritetranitrat; Nitroerythrit; Nitroerythrite; Nitroerythrol; Tetranitrin; Tetranitrol; Eritritile tetranitrato; Eritritile tetranitrato [DCIT]; Eritrityl tetranitrate; Eritrityli tetranitras; Erythritol tetranitrate; Erythrityl tetranitrate [USAN]; Erythrol tetranitrate; Tetranitrato de eritritilo; Eritrityli tetranitras [INN-Latin]; Erythritol, tetranitrate; Meso-Erythritol tetranitrate; Tetranitrate d'erithrityle; Tetranitrate d'eritrityle; Tetranitrato de eritritilo [INN-Spanish]; Erythritol, tetranitrate (8CI); Tetranitrate d'eritrityle [INN-French]; 1,2,3,4-Butanetetralyl tetranitrate; 1,3,4-trinitrooxybutan-2-yl nitrate
Indication
Disease Entry ICD 11 Status REF
Angina pectoris BA40 Approved [1]
Therapeutic Class
Vasodilator Agents
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 302.11
Logarithm of the Partition Coefficient (xlogp) 1.4
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 12
Chemical Identifiers
Formula
C4H6N4O12
IUPAC Name
[(2R,3S)-1,3,4-trinitrooxybutan-2-yl] nitrate
Canonical SMILES
C([C@H]([C@H](CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]
InChI
InChI=1S/C4H6N4O12/c9-5(10)17-1-3(19-7(13)14)4(20-8(15)16)2-18-6(11)12/h3-4H,1-2H2/t3-,4+
InChIKey
SNFOERUNNSHUGP-ZXZARUISSA-N
Cross-matching ID
PubChem CID
5284553
ChEBI ID
CHEBI:60072
CAS Number
7297-25-8
DrugBank ID
DB01613
TTD ID
D06IZM

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Guanylate cyclase (GC) TT6HPVC NOUNIPROTAC Stimulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Drug information of Erythrityl Tetranitrate, 2008. eduDrugs.
2 Nitric oxide and nitric oxide synthase isoforms in the normal, hypertrophic, and failing heart. Mol Cell Biochem. 2010 Jan;333(1-2):191-201.