Consensus flow list

Pseudoephedrine hydrochloride

fo-308fe0b460b793ac

Identity

Type
Molecular complex
CAS
345-78-8
EC
206-462-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Pseudoephedrine hydrochloride

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

Alternative labels

22

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string BALXUFOVQVENIU-KXNXZCPBSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H15NO.ClH/c1-8(11-2)10(12)9-6-4-3-5-7-9;/h3-8,10-12H,1-2H3;1H/t8-,10+;/m0./s1
Isomeric SMILES string chemrof:isomeric_smiles_string CN[C@@H](C)[C@@H](O)c1ccccc1.Cl
IUPAC name chemrof:IUPAC_name (1s,2s)-2-(methylamino)-1-phenylpropan-1-ol Hydrochloride
Molecular formula chemrof:molecular_formula C10H16ClNO, H.C10H15NO.Cl
Molecular mass chemrof:molecular_mass 201.697
Monoisotopic mass chemrof:monoisotopic_mass 201.09204, 201.092042
SMILES string chemrof:smiles_string CNC(C)C(O)c1ccccc1.Cl

Known URLs

7

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:3915112 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=345-78-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:8604 enrich_references.chebi_id_link
DrugBank https://go.drugbank.com/drugs/DB00852 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D00485 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/25137849 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27108108 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
2ef7dbcd-02a1-4a92-ab3f-4cf1630a2e6c Environmental → Air → Aircraft cruise height EF 3.1 kg 2
c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
fc9a9cef-e114-44df-a421-006017db5ffd Environmental → Air → Indoor EF 3.1 kg 2
9f9853f1-b187-46cb-a2da-59d9e9e28c2a Environmental → Air → Long-term EF 3.1 kg 0
077554c8-46fc-4ed5-a5fb-647a9969acbf Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
aaf7ebf6-4c9c-45d9-8d81-fc41125eaebf Environmental → Air → Unknown EF 3.1 kg 2
bdd183c0-f8d2-4812-9dec-33869f873004 Environmental → Ground → Agricultural EF 3.1 kg 2
5f4a00ab-882c-47dd-b040-b3ae2d24c963 Environmental → Ground → Non-agricultural EF 3.1 kg 2
53c93914-7593-441c-81aa-57e4ebe73bac Environmental → Ground → Unknown EF 3.1 kg 2
663eacf6-e5d8-4204-abce-806d22e93681 Environmental → Water → Long-term EF 3.1 kg 0
64c880dc-bed4-4f24-af9b-7bba8309420a Environmental → Water → Ocean EF 3.1 kg 2
9a661eee-f116-46ac-b21f-5df214de1ddd Environmental → Water → Surface water EF 3.1 kg 2
30df5afd-2a96-456b-9fed-6bef1edf2065 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON 
{
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    {
      "@value": "Pseudoephedrine, hydrochloride, (+)-",
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      "@value": "Symptom 2",
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