Consensus flow list

Phenoxybenzamine Hydrochloride

fo-8d8ec9632df61cbd

Identity

Type
Molecular complex
CAS
63-92-3
EC
200-569-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for Phenoxybenzamine Hydrochloride

Alternative labels

12

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string VBCPVIWPDJVHAN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H22ClNO.ClH/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17;/h2-11,16H,12-15H2,1H3;1H
IUPAC name chemrof:IUPAC_name 2-(N-Benzyl-2-chloroethylamino)-1-phenoxypropane hydrochloride
Molecular formula chemrof:molecular_formula C18H22ClNO.HCl, C18H23Cl2NO
Molecular mass chemrof:molecular_mass 340.294
Monoisotopic mass chemrof:monoisotopic_mass 339.11567
SMILES string chemrof:smiles_string CC(COc1ccccc1)N(CCCl)Cc1ccccc1.Cl

Known URLs

17

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
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=63-92-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:8078 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.518 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0021127 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=37448 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=759572 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1200787 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/X1IEG24OHL enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C07436 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D00507 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C07436 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D00507 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C44435 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1200787 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5284441 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/71512 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27107723 enrich_references.pubchem_identifier_url

Elementary flows

12
Flow Context Source Unit CFs
d86c88e6-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
fe0acd60-3ddc-11dd-a01d-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
fe0acd60-3ddc-11dd-a01c-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a01e-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
fe0acd60-3ddc-11dd-a01b-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 0
fe0acd60-3ddc-11dd-a019-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 0
fe0acd60-3ddc-11dd-a022-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 0
fe0acd60-3ddc-11dd-a01a-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 0
fe0acd60-3ddc-11dd-a020-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a023-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 0
fe0acd60-3ddc-11dd-a01f-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 0
fe0acd60-3ddc-11dd-a021-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON 
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