Brightway Flows 1.0
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Cetrimonium Bromide

fo-45d682c9dd0010e1

Identity

Type
Chemical salt
CAS
57-09-0
EC
200-311-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Cetrimonium Bromide

Alternative labels

55

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string LZZYPRNAOMGNLH-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C19H42N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1
IUPAC name chemrof:IUPAC_name Cetyl trimethyl ammonium bromide
Molecular formula chemrof:molecular_formula Br.C19H42N, C19H42BrN
Molecular mass chemrof:molecular_mass 364.456
Monoisotopic mass chemrof:monoisotopic_mass 363.25006, 363.250062
SMILES string chemrof:smiles_string CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]

Known URLs

42

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=57-09-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:3567 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.283 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5037028 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB01718 enrich_references.chebi_xrefs
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=32927 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=758401 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL307346 enrich_references.pubchem_identifier_url
gmelin gmelin:156228 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/L64N7M9BWR enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C11275 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D03454 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C11275 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D03454 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CTAB enrich_references.chebi_xrefs
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C73149 enrich_references.pubchem_identifier_url
ppdb ppdb:126 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5974 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/10669577 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12127527 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15149689 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15916434 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16658142 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17145794 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17284452 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17294516 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18298942 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19382783 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23219565 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23618346 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23792315 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23981419 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/6196640 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7381846 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7526642 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/9056367 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/9357523 enrich_references.chebi_xrefs
reaxys reaxys:3598189 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/288999 enrich_references.pubchem_identifier_url
vsdb vsdb:126 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q416077 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Cetrimonium_bromide enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
be7ea2f9-6214-4ccf-a75c-f7998be4ca12 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
1ba7f2d5-b6cd-4b43-9a51-0f5306edde11 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
21620f43-bab0-47fa-a84c-8b23d4b714d2 Environmental → Air → Indoor EF 3.1 kg 4
69b9112f-42a1-414a-b087-87caf77dcbaf Environmental → Air → Long-term EF 3.1 kg 0
1aceeea0-cefb-4f45-a4ef-9d18ca788b18 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
5c8bf6c2-5c93-4ee0-8d53-1aa056b5c877 Environmental → Air → Unknown EF 3.1 kg 4
d1c28d15-89e4-40cd-b74b-95a21a0fb239 Environmental → Ground → Agricultural EF 3.1 kg 4
e11f9b44-23c2-473d-ab3f-df9ae7281a2e Environmental → Ground → Non-agricultural EF 3.1 kg 4
ae970a54-83e1-403f-81aa-4ac689524916 Environmental → Ground → Unknown EF 3.1 kg 4
2a5fd333-b81c-4931-9c41-71807548bec8 Environmental → Water → Long-term EF 3.1 kg 0
93d4acbe-73e2-48ae-ab85-4eb210fe4f68 Environmental → Water → Ocean EF 3.1 kg 4
a359c962-0df7-45a0-aa83-1c0aa0dd1753 Environmental → Water → Surface water EF 3.1 kg 4
b643e7ad-3b74-47c5-8703-047141d7943b Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
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    },
    {
      "@value": "Bromure de cetrimonium",
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      }
    },
    {
      "@value": "Bromuro de cetrimonio",
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    {
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    },
    {
      "@value": "Catinal HTB 70ET",
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    },
    {
      "@value": "Cee dee",
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    },
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      "@value": "Centimide",
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    },
    {
      "@value": "Cetab",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Cetremide",
      "@language": "en",
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      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cetrimide",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Cetrimonii bromidum",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Cetyl trimethyl ammonium bromide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Cetyltrimethylammonium bromide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Cirrasol OD",
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        ],
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      }
    },
    {
      "@value": "CTAB",
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      "@lang": "en",
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    },
    {
      "@value": "CTABr",
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        ],
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      }
    },
    {
      "@value": "Ctmab",
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    },
    {
      "@value": "CTMB",
      "@language": "en",
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      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=57-09-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "HDTMA-Br",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-09-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hexadecanyltrimethylammonium bromide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:57-09-0",
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          "https://commonchemistry.cas.org/detail?cas_rn=57-09-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hexadecyl-trimethyl-ammonium; bromide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_3567"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Hexadecyltrimethylamine bromide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "hexadecyltrimethylammonium bromide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "HTAB",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-09-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Lauroseptol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-09-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Lissolamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-09-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Lissolamine A",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
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