Consensus flow list

Paclobutrazol

fo-c5858235ddddbe7e

Identity

Type
NeutralMolecule
CAS
76738-62-0
EC
266-325-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Paclobutrazol

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

What it is used for

2

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. ChEBI
plant growth regulator CHEBI:26155 A chemical, natural or artificial, that can affect the rate of growth of a plant. ChEBI

Alternative labels

27

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string RMOGWMIKYWRTKW-KGLIPLIRSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3/t13-,14+/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string CC(C)(C)[C@@H](O)[C@@H](Cc1ccc(Cl)cc1)n1cncn1
IUPAC name chemrof:IUPAC_name (2RS,3RS)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol
Molecular formula chemrof:molecular_formula C15H20ClN3O
Molecular mass chemrof:molecular_mass 293.792, 293.798
Monoisotopic mass chemrof:monoisotopic_mass 293.12949
SMILES string chemrof:smiles_string CC(C)(C)C(O)C(Cc1ccc(Cl)cc1)n1cncn1

Known URLs

18

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=76738-62-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:73162 enrich_references.chebi_id_link
KEGG https://www.genome.jp/entry/C18479 enrich_references.chebi_xrefs
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-6970 enrich_references.chebi_xrefs
patent patent:DE2734426 enrich_references.chebi_xrefs
patent patent:US4243405 enrich_references.chebi_xrefs
patent patent:WO2006018266 enrich_references.chebi_xrefs
pesticides pesticides:paclobutrazol enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/2223832 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22302427 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22410213 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22789407 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22886453 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23202249 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23252595 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23333969 enrich_references.chebi_xrefs
reaxys reaxys:6726518 enrich_references.chebi_xrefs
Wikipedia https://en.wikipedia.org/wiki/Paclobutrazol enrich_references.chebi_xrefs

Elementary flows

14
Flow Context Source Unit CFs
3e4d9ec0-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
fe0acd60-3ddc-11dd-9f6b-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
ca01e732-adf1-49a4-9237-8af7ee20a58f Environmental → Air → Indoor EF 3.1 kg 4
fe0acd60-3ddc-11dd-9f6a-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-9f6c-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
fe0acd60-3ddc-11dd-9f69-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-9f67-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
fe0acd60-3ddc-11dd-9ec7-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
564d2ac6e553c1d200f0f25102acfb253a9a3f4e Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-9f68-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-9f6e-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-9ec8-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
fe0acd60-3ddc-11dd-9f6d-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
08a91e70-3ddc-11dd-a098-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
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      "@value": "Cambistat",
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      "@value": "Clipper (triazole)",
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      "@value": "Cultar",
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    {
      "@value": "Duo Xiao Zuo",
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    },
    {
      "@value": "MET (Triazole)",
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    },
    {
      "@value": "Multi-effect triazole",
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    },
    {
      "@value": "paclobutrazole",
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      "@value": "Parlay",
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    },
    {
      "@value": "rac-(2R,3R)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol",
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      "@value": "rac-(2S,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol",
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    },
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      "@value": "rel-(αR,βR)-β-[(4-Chlorophenyl)methyl]-α-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol",
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    },
    {
      "@value": "Smarect",
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      "@value": "Trimmit",
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    },
    {
      "@value": "Trimtect",
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