Consensus flow list

6'-(dibutylamino)-3'-methyl-2'-(phenylamino)spiro[isobenzofuran-1(3h),9-(9h)-xanthen]-3-one

fo-0800061aaad3951d

Identity

Type
Neutral molecule
CAS
89331-94-2
EC
403-830-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 6'-(dibutylamino)-3'-methyl-2'-(phenylamino)spiro[isobenzofuran-1(3h),9-(9h)-xanthen]-3-one

Alternative labels

21

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XAAILNNJDMIMON-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C35H36N2O3/c1-4-6-19-37(20-7-5-2)26-17-18-29-33(22-26)39-32-21-24(3)31(36-25-13-9-8-10-14-25)23-30(32)35(29)28-16-12-11-15-27(28)34(38)40-35/h8-18,21-23,36H,4-7,19-20H2,1-3H3
IUPAC name chemrof:IUPAC_name 2′-Anilino-6′-(dibutylamino)-3′-methylspiro[2-benzofuran-3,9′-xanthene]-1-one
Molecular formula chemrof:molecular_formula C35H36N2O3
Molecular mass chemrof:molecular_mass 532.684
Monoisotopic mass chemrof:monoisotopic_mass 532.272593
SMILES string chemrof:smiles_string CCCCN(CCCC)c1ccc2c(c1)Oc1cc(C)c(Nc3ccccc3)cc1C21OC(=O)c2ccccc21

Known URLs

8

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=89331-94-2 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.100.553 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.115.292 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3029817 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2H1E1033W1 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J60.931E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3534526 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27894671 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
774b3175-32df-4b6d-8922-bd562ff63e12 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
90823b44-7381-4501-aff5-6e86583fafe5 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
a21664a7-acd6-4a56-ad10-39be708a32a2 Environmental → Air → Indoor EF 3.1 kg 4
02be5260-9bd1-4c7a-94e3-0ad85c242f92 Environmental → Air → Long-term EF 3.1 kg 0
b2fd438d-19aa-4e0c-862c-cb00d2bd63ad Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
114f656f-bbf7-476e-b093-84d6311dbd91 Environmental → Air → Unknown EF 3.1 kg 4
e8a80c40-01b8-4307-9c60-da99ae1dc2d0 Environmental → Ground → Agricultural EF 3.1 kg 4
db2adf81-ed20-4d45-a78b-7346dad2bd8d Environmental → Ground → Non-agricultural EF 3.1 kg 4
d2f21c04-3c3b-44f0-bfbf-96d1ec1cc7cc Environmental → Ground → Unknown EF 3.1 kg 4
7e6d369a-7e0f-4ff3-a167-bf257fa35df2 Environmental → Water → Long-term EF 3.1 kg 0
65690cd9-f01c-4701-aac3-17d338835b58 Environmental → Water → Ocean EF 3.1 kg 4
f8b50eb2-7860-4fdd-8856-5b1b65a1464b Environmental → Water → Surface water EF 3.1 kg 4
df37136f-30ef-4454-9809-77803116d026 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-0800061aaad3951d",
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      "@value": "6'-(dibutylamino)-3'-methyl-2'-(phenylamino)spiro[isobenzofuran-1(3h),9-(9h)-xanthen]-3-one",
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    {
      "@value": "Chameleon Black 2",
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    },
    {
      "@value": "Spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one, 6′-(dibutylamino)-3′-methyl-2′-(phenylamino)-",
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  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C35H36N2O3"
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