Consensus flow list

N-(4-chloro-2,5-dimethoxyphenyl)-3-hydroxy-4-{[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl}-2-naphthamide

fo-7143e7ff53c3227c

Identity

Type
Neutral molecule
CAS
5280-68-2
EC
226-103-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N-(4-chloro-2,5-dimethoxyphenyl)-3-hydroxy-4-{[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl}-2-naphthamide

Alternative labels

24

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string HEKSHDRHZRCZBN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C33H27ClN4O6/c1-42-27-14-13-20(32(40)35-21-10-5-4-6-11-21)16-26(27)37-38-30-22-12-8-7-9-19(22)15-23(31(30)39)33(41)36-25-18-28(43-2)24(34)17-29(25)44-3/h4-18,39H,1-3H3,(H,35,40)(H,36,41)
IUPAC name chemrof:IUPAC_name N-(4-chloro-2,5-dimethoxyphenyl)-3-hydroxy-4-{[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl}-2-naphthamide
Molecular formula chemrof:molecular_formula C33H27ClN4O6
Molecular mass chemrof:molecular_mass 611.054
Monoisotopic mass chemrof:monoisotopic_mass 610.161912
SMILES string chemrof:smiles_string COc1cc(NC(=O)c2cc3ccccc3c(N=Nc3cc(C(=O)Nc4ccccc4)ccc3OC)c2O)c(OC)cc1Cl

Known URLs

7

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=5280-68-2 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.023.731 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3063754 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J34.045F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/136823061 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/78936 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72499565 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
9a4d9388-44ac-4e63-82e1-dd464e651d3f Environmental → Air → Aircraft cruise height EF 3.1 kg 4
bcf542ad-6356-498b-a588-8b49748e0993 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
82e5888f-677c-4658-894d-761f0be16436 Environmental → Air → Indoor EF 3.1 kg 4
800d493d-ddcd-45dc-8b79-5db235cce76e Environmental → Air → Long-term EF 3.1 kg 0
ad98a105-26ca-4047-bb6a-85ed55272b43 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
75b6ae7a-9339-40e0-a0d5-90978cda65d6 Environmental → Air → Unknown EF 3.1 kg 4
487276c4-baea-4cfe-87f9-9383437f5038 Environmental → Ground → Agricultural EF 3.1 kg 4
3b9c4868-6817-48d2-9e7a-b34731a91a71 Environmental → Ground → Non-agricultural EF 3.1 kg 4
f35c7979-296b-4b46-9b51-02a24c7df884 Environmental → Ground → Unknown EF 3.1 kg 4
1f9afef2-8952-4e2d-ad4e-e166514a5ab6 Environmental → Water → Long-term EF 3.1 kg 0
a096c6ea-143c-4b91-a1c3-84e241f39e10 Environmental → Water → Ocean EF 3.1 kg 4
b7b9630b-69e7-47cd-8228-44869ab4fa96 Environmental → Water → Surface water EF 3.1 kg 4
5bddbb6c-9d58-41e4-8591-37fda47e2944 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 
{
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  "properties": {
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}

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