5-acetylamino-n,n'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide

1,3-Benzenedicarboxamide, 5-(acetylamino)-N,N′-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-
1,3-Benzenedicarboxamide, 5-(acetylamino)-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-
5-(Acetylamino)-N,N′-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide
5-(Acetylamino)-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide
5-Acetamido-N,N′-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide
5-Acetylamino-N,N′-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide
Isophthalamide, 5-acetamido-N,N′-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	BHCBLTRDEYPMFZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C16H20I3N3O7/c1-6(25)22-14-12(18)9(15(28)20-2-7(26)4-23)11(17)10(13(14)19)16(29)21-3-8(27)5-24/h7-8,23-24,26-27H,2-5H2,1H3,(H,20,28)(H,21,29)(H,22,25)
IUPAC name chemrof:IUPAC_name	1,3-Benzenedicarboxamide, 5-(acetylamino)-N,N′-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-
Molecular formula chemrof:molecular_formula	C16H20I3N3O7
Molecular mass chemrof:molecular_mass	747.062
Monoisotopic mass chemrof:monoisotopic_mass	746.843544
SMILES string chemrof:smiles_string	CC(=O)Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I

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=31127-80-7	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.060.129	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.122.513	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID20953226	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/BK2UH2P436	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0246133	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.326.394G	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/11115326	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q27274719	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
35682a64-b3d8-4fce-ab7f-5d6c0f3d66c4	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
4c0e7990-b46a-4a5d-84cb-4e6d62223a41	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
faa96fcb-bc8e-4555-8007-6bcd8257c637	Environmental → Air → Indoor	EF 3.1	kg	2
418ab7f3-944a-4123-b513-afa688fa1103	Environmental → Air → Long-term	EF 3.1	kg	0
59472f49-72fe-4223-b99f-3119ebbafb86	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
9c2bb01f-7fa0-43c5-9de7-0bd8c5f08fd5	Environmental → Air → Unknown	EF 3.1	kg	2
229da4a5-e435-4e3a-b88e-3fcd2c827ac0	Environmental → Ground → Agricultural	EF 3.1	kg	2
6812ce05-8988-4939-9aaf-3ae05461e34b	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
fcddd019-80df-49cb-97cd-298f0d8ddb0f	Environmental → Ground → Unknown	EF 3.1	kg	2
eb841bb1-6a39-45a8-96c7-410f7731b943	Environmental → Water → Long-term	EF 3.1	kg	0
bfaacadb-754e-4dfe-85e4-30607c923c74	Environmental → Water → Ocean	EF 3.1	kg	2
34042aeb-5b12-46fc-a375-a3a0f16e64b3	Environmental → Water → Surface water	EF 3.1	kg	2
b448eaa1-0d9a-4b6f-bbe6-5e1a83c36bb1	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "445-830-8"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=445-830-8"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

5-acetylamino-n,n'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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