FDA.reportPublic FDA data

SIMETONE

Substance profile for UNII 387DQL493M, enriched with FDA NDC listings, DailyMed labels, legacy aliases, and open chemistry identifiers.

Chemical structure for SIMETONE
Structure render from PubChem CID 12654

Substance Identity#

UNII
387DQL493M
Preferred term
SIMETONE
Registry number
673-04-1
EC number
211-601-4
Ingredient type
INGREDIENT SUBSTANCE
Molecular formula
C8H15N5O
Chemical structure for SIMETONE
Structure render from PubChem CID 12654

Chemical And Database Identifiers#

InChIKey
HKAMKLBXTLTVCN-UHFFFAOYSA-N
SMILES
CCNC1=NC(OC)=NC(NCC)=N1
RxCUI
1658655
PubChem
12654
INN ID
0

Open Chemistry Sources#

Source, Identifier, Link table
SourceIdentifierLink
PubChem Compound12654pubchem.ncbi.nlm.nih.gov/compound/12654
PubChem InChIKey SearchHKAMKLBXTLTVCN-UHFFFAOYSA-Npubchem.ncbi.nlm.nih.gov/#query=HKAMKLBXTLTVCN-UHFFFAOYSA-N
RxNorm1658655mor.nlm.nih.gov/RxNav/search?searchBy=RXCUI&searchTerm=1658655
FDA Substance Registration System387DQL493Mprecision.fda.gov/uniisearch/srs/unii/387DQL493M
European Community number211-601-4commonchemistry.cas.org/results?q=211-601-4

DailyMed Socrata Ingredients#

Ingredient, Type, UNII table
IngredientTypeUNIIDailyMed labelSPL versionUploaded
SIMETONEINACTIVE INGREDIENT387DQL493MGood Neighbor Pharmacy Burn Relief1