Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR2825)
Drug Name
Nitroprusside
Synonyms
Nitropress (TN); Nitroprusside sodium; Sodium nitroprusside (USP); Tox21_110314; Tox21_110314_1; 13755-38-9; 7304AF; A-8282; C07695; NITROPRUSSIDE SODIUM DIHYDRATE; C5FeN6O.2Na.2H2O; CAS-13755-38-9; CHEBI:9179; D00614; DSSTox_CID_21126; DSSTox_GSID_41126; DSSTox_RID_79630; DTXSID7041126; MFCD00149192; NCGC00166055-03; Na2[Fe(CN)5(NO)].2H2O; Sodium nitroferricyanide dihydrate, 99+%; Sodium nitroferricyanide dihydrate, reagent ACS; Sodium nitroferricyanide(III) dihydrate; Sodium nitroprusside hydrate (JAN)
Indication Congestive heart failure [ICD11: BD10] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 297.95 Topological Polar Surface Area 139
Heavy Atom Count 17 Rotatable Bond Count 0
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 14
Cross-matching ID
PubChem CID
11953895
ChEBI ID
CHEBI:9179
CAS Number
13755-38-9
Formula
C5H4FeN6Na2O3
Canonical SMILES
[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[N-]=O.O.O.[Na+].[Na+].[Fe+4]
InChI
1S/5CN.Fe.NO.2Na.2H2O/c5*1-2;;1-2;;;;/h;;;;;;;;;2*1H2/q5*-1;+4;-1;2*+1;;
InChIKey
XRKMNJXYOFSTBE-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Cyanmethemoglobin DM002215 N. A. Unclear 1 [3] , [4]
Nitroprusside thiocyanate DM002216 N. A. Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR001768 Nitroprusside Cyanmethemoglobin Unclear Unclear [3], [4]
MR001769 Nitroprusside Nitroprusside thiocyanate Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
S-(hydroxymethyl)glutathione dehydrogenase (adh) DME1249 Vibrio cholerae
A0A0A7DS01_VIBCL
1.1.1.284
[2]
References
1 Nitroprusside was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Nitrosative stress response in Vibrio cholerae: role of S-nitrosoglutathione reductase. Appl Biochem Biotechnol. 2017 Jul;182(3):871-884.
3 Clinical pharmacokinetics of nitroprusside, cyanide, thiosulphate and thiocyanate Clin Pharmacokinet. 1984 May-Jun;9(3):239-51. doi: 10.2165/00003088-198409030-00005.
4 In vitro cyanide release from sodium nitroprusside in various intravenous solutions Anesth Analg. 1988 Apr;67(4):360-2.

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