Consensus flow list

2-hexyl Decanoic Acid [4-(6-tert-butyl-7-chloro-1h- Pyrazolo[1,5-b][1,2,4] Triazol-2-yl) Phenylcarbamoyl] Methylester

fo-e2b80bb905a38e56

Identity

Type
Neutral molecule
CAS
379268-96-9
EC
448-260-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2-hexyl Decanoic Acid [4-(6-tert-butyl-7-chloro-1h- Pyrazolo[1,5-b][1,2,4] Triazol-2-yl) Phenylcarbamoyl] Methylester

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string GNKWZTKPIRTZBI-UHFFFAOYSA-N, YSMXWRVHMQSPJL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C32H48ClN5O3/c1-6-8-10-12-13-15-17-24(16-14-11-9-7-2)31(40)41-22-26(39)34-25-20-18-23(19-21-25)29-35-30-27(33)28(32(3,4)5)36-38(30)37-29/h18-21,24H,6-17,22H2,1-5H3,(H,34,39)(H,35,37)
IUPAC name chemrof:IUPAC_name 2-[[4-[7-Chloro-6-(1,1-dimethylethyl)-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]amino]-2-oxoethyl 2-hexyldecanoate
Molecular formula chemrof:molecular_formula C32H48ClN5O3
SMILES string chemrof:smiles_string CCCCCCCCC(CCCCCC)C(=O)OCC(=O)Nc1ccc(-c2nc3c(Cl)c(C(C)(C)C)nn3[nH]2)cc1

Known URLs

5

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=379268-96-9 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.104.157 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID601105897 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.055.092I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/58800829 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
8b5877ce-693e-4b35-a5e7-8dd2d3dbde95 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
c15139a1-d9d7-428d-b9c3-082e6116cf14 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
3328616f-f178-4921-a3cc-b401be160219 Environmental → Air → Indoor EF 3.1 kg 4
a52656d4-d498-4518-85a6-edf122f86a9c Environmental → Air → Long-term EF 3.1 kg 0
fc8eec4d-0d4d-49f0-b544-01fccf0aa799 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
ddad2702-b50a-441d-bf96-919081886189 Environmental → Air → Unknown EF 3.1 kg 4
31978ec5-b382-460f-9abc-56347cd53b44 Environmental → Ground → Agricultural EF 3.1 kg 4
99a3f32e-8184-491a-9a88-30ff8bdb6589 Environmental → Ground → Non-agricultural EF 3.1 kg 4
db5ef73c-c770-49d0-9a9c-3465181cdd30 Environmental → Ground → Unknown EF 3.1 kg 4
91c87c32-1bd4-4cd5-9e3d-c6a398c32c53 Environmental → Water → Long-term EF 3.1 kg 0
43a7d7d1-001d-4473-9592-f57447f8568f Environmental → Water → Ocean EF 3.1 kg 4
04c3b398-2fc2-4b66-8979-3ea0ed147227 Environmental → Water → Surface water EF 3.1 kg 4
aef9c89e-7ce1-4fca-9c3a-2398fada2b0d Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-e2b80bb905a38e56",
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    {
      "@value": "2-hexyl Decanoic Acid [4-(6-tert-butyl-7-chloro-1h- Pyrazolo[1,5-b][1,2,4] Triazol-2-yl) Phenylcarbamoyl] Methylester",
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      }
    },
    {
      "@value": "Decanoic acid, 2-hexyl-, 2-[[4-[7-chloro-6-(1,1-dimethylethyl)-1H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]amino]-2-oxoethyl ester",
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      }
    },
    {
      "@value": "Decanoic acid, 2-hexyl-, 2-[[4-[7-chloro-6-(1,1-dimethylethyl)-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]amino]-2-oxoethyl ester",
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}

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