Consensus flow list

Pramipexole

fo-32a2e5e55b405c99

Identity

Type
NeutralMolecule
CAS
104632-26-0
EC
600-593-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Pramipexole

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

14

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string FASDKYOPVNHBLU-ZETCQYMHSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1
Isomeric SMILES string chemrof:isomeric_smiles_string CCCN[C@H]1CCc2nc(N)sc2C1
IUPAC name chemrof:IUPAC_name (6S)-N(6)-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
Molecular formula chemrof:molecular_formula C10H17N3S
Molecular mass chemrof:molecular_mass 211.334
Monoisotopic mass chemrof:monoisotopic_mass 211.114319, 211.11432
SMILES string chemrof:smiles_string CCCNC1CCc2nc(N)sc2C1

Known URLs

30

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
beilstein beilstein:6479326 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=104632-26-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:8356 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.124.761 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.518.136 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6023496 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB00413 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB00413 enrich_references.pubchem_identifier_url
drugcentral drugcentral:2233 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/2233 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL301265 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/83619PEU5T enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0014557 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J419.937E enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/D00559 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D05575 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/D05575 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-5243 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=42773 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C66456 enrich_references.pubchem_identifier_url
patent patent:EP186087 enrich_references.chebi_xrefs
patent patent:US4886812 enrich_references.chebi_xrefs
pharos.nih.gov https://pharos.nih.gov/ligands/BZ3WYPPQRWAP enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/BZUF4BCZV8PH enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/BZUWXBF5CK5W enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL301265 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/119570 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/746741 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q421304 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Pramipexole enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
388d60ff-4a4b-4f2c-a90c-48a17dc5271d Environmental → Air → Aircraft cruise height EF 3.1 kg 2
dd56d557-a16d-4353-b566-19460f75334a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
de53e91b-6cd0-4cba-8f8a-e2794b9a29a3 Environmental → Air → Indoor EF 3.1 kg 2
78a3fb99-5b3c-4044-8453-5c276934b242 Environmental → Air → Long-term EF 3.1 kg 0
97f24d9d-1698-4728-9cac-6de3324b9761 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
e219c65a-633c-46e2-8233-efca7230bd12 Environmental → Air → Unknown EF 3.1 kg 2
09865c45-be87-41fc-980e-463a299e04bf Environmental → Ground → Agricultural EF 3.1 kg 2
9715fab9-8f5c-4ea8-a0b0-aff758058ee7 Environmental → Ground → Non-agricultural EF 3.1 kg 2
e85cb1f3-9dbd-43c5-aa6a-642dea6f4e18 Environmental → Ground → Unknown EF 3.1 kg 2
d60f1e33-c801-4c36-9d96-7a40d33c17e5 Environmental → Water → Long-term EF 3.1 kg 0
ba206564-b88e-48c8-8317-8421c06f7811 Environmental → Water → Ocean EF 3.1 kg 2
d7231068-2e41-41ba-b188-cae211dc6cc1 Environmental → Water → Surface water EF 3.1 kg 2
8de82377-b31b-4cab-b83e-4bbb3d1de1e1 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-32a2e5e55b405c99",
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