Consensus flow list

Thiamphenicol

fo-1048b1acda581df5

Identity

Type
Neutral molecule
CAS
15318-45-3
EC
239-355-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Thiamphenicol

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 OTVAEFIXJLOWRX-NXEZZACHSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H15Cl2NO5S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-16)15-12(18)11(13)14/h2-5,9-11,16-17H,6H2,1H3,(H,15,18)/t9-,10-/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string CS(=O)(=O)c1ccc([C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl)cc1
IUPAC name chemrof:IUPAC_name 2,2-dichloro-N-{(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-[4-(methylsulfonyl)phenyl]ethyl}acetamide
Molecular formula chemrof:molecular_formula C12H15Cl2NO5S
Molecular mass chemrof:molecular_mass 356.227
Monoisotopic mass chemrof:monoisotopic_mass 355.004799, 355.0048
SMILES string chemrof:smiles_string CS(=O)(=O)c1ccc(C(O)C(CO)NC(=O)C(Cl)Cl)cc1

Known URLs

27

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=15318-45-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:32215 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.035.762 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5021338 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB08621 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB08621 enrich_references.pubchem_identifier_url
drugcentral drugcentral:2624 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/2624 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=758396 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1236282 enrich_references.pubchem_identifier_url
glycosmos.org https://glycosmos.org/glycans/show/G80355IB enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/283383NO13 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/FLQ7571NPM enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J9.286J enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C12853 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D01407 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C12853 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D01407 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-5858 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=54518 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C61969 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:TH8 enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1236282 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/27200 enrich_references.pubchem_compound
vsdb vsdb:1911 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q425015 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Thiamphenicol enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
8dcd5556-52d6-41a9-bc33-6abaf5b49003 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
f7280393-01db-48a8-add4-6a133755be1a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
8074e4aa-8542-4bc2-840a-f86cc3d495ff Environmental → Air → Indoor EF 3.1 kg 2
fff58b1b-fd5c-46cc-974e-9ff1c78e30e3 Environmental → Air → Long-term EF 3.1 kg 0
0511eb1e-a2b3-4f31-80d1-27359f503594 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
6e373c5e-8694-477f-b098-cab60459ab5a Environmental → Air → Unknown EF 3.1 kg 2
258e4d4e-a8be-4bdc-a5c9-984f0f6639e5 Environmental → Ground → Agricultural EF 3.1 kg 2
21311ca2-be30-4b06-9620-d955c3b56cbf Environmental → Ground → Non-agricultural EF 3.1 kg 2
9e6782f8-9d13-445a-b0d7-6526540bf000 Environmental → Ground → Unknown EF 3.1 kg 2
3a9080bb-a063-475b-a089-d3a58e6e5a02 Environmental → Water → Long-term EF 3.1 kg 0
562b14ae-bf1e-4f78-85db-efe52a6e267a Environmental → Water → Ocean EF 3.1 kg 2
edf44864-14d1-4b2e-b6da-02e97c727f30 Environmental → Water → Surface water EF 3.1 kg 2
f4d608fe-153b-4146-97ca-0ba8c3e22084 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-1048b1acda581df5",
  "prefLabel": [
    {
      "@value": "Thiamphenicol",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
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    }
  ],
  "altLabel": [
    {
      "@value": "(+)-Thiamphenicol",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(2′R,3′R)-Thiamphenicol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(Methylsulfonyl)chloramphenicol",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2-Dichloro-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-[4-(methylsulfonyl)phenyl]ethyl]acetamide",
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    {
      "@value": "2,2-dichloro-N-{(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-[4-(methylsulfonyl)phenyl]ethyl}acetamide",
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    },
    {
      "@value": "8065CB",
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      }
    },
    {
      "@value": "Acetamide, 2,2-dichloro-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-[4-(methylsulfonyl)phenyl]ethyl]-",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "Acetamide, 2,2-dichloro-N-[2-hydroxy-1-(hydroxymethyl)-2-[4-(methylsulfonyl)phenyl]ethyl]-, [R-(R*,R*)]-",
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      }
    },
    {
      "@value": "Acetamide, 2,2-dichloro-N-[β-hydroxy-α-(hydroxymethyl)-p-(methylsulfonyl)phenethyl]-, D-threo-(+)-",
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      "@lang": "en",
      "provenance": {
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    },
    {
      "@value": "Armai (TN)",
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      }
    },
    {
      "@value": "D-(+)-threo-2,2-Dichloro-N-(beta-hydroxy-alpha-(hydroxymethyl)-p-(methylsulfonyl)phenethyl)acetamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "D-d-threo-2-Dichloroacetamido-1-(4-methylsulfonylphenyl)-1,3-propanediol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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    },
    {
      "@value": "D-Thiocymetin",
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      }
    },
    {
      "@value": "D-Thiophenicol",
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      "@value": "D-threo-(1R,2R)-1-(p-Methylsulfonylphenyl)-2-dichloroacetamido-1,3-propanediol",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dextrosulphenidol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
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      }
    },
    {
      "@value": "MeSH ID: D013839",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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    },
    {
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      "@value": "Thiocymetin (TN)",
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    },
    {
      "@value": "Thiophenicol",
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      }
    },
    {
      "@value": "Tirsan",
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    },
    {
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  "properties": {
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