(Q7197959)

canonical SMILES

C1=CC=C2C(=C1)N=C3C(=CC(=O)C4=C3C(=O)C=C(N4)C(=O)O)O2

1 reference

c1ccc2c(c1)nc-3c4c(cc(nc4c(=O)cc3o2)C(=O)O)O

0 references

NCI Thesaurus ID

C66416

1 reference

InChI=1S/C16H8N2O5/c19-9-5-8(16(21)22)18-14-10(20)6-12-15(13(9)14)17-7-3-1-2-4-11(7)23-12/h1-6H,(H,18,19)(H,21,22)

UNII

27L0EP6IZK

retrieved

14 February 2018

Identifiers

InChI

1 reference

OKPNYGAWTYOBFZ-UHFFFAOYSA-N

InChIKey

2 references

14 February 2018

2 references

OKPNYGAWTYOBFZ-UHFFFAOYSA-N

14 February 2018

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=1043-21-6

ChemSpider ID

4846

1 reference

imported from Wikimedia project

English Wikipedia

PubChem CID

4846

1 reference

imported from Wikimedia project

English Wikipedia

ChEBI ID

32013

mapping relation type

exact match

2 references

ChEBI release 2019-10-02

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

ChEBI release 2021-03-01

SureChEMBL ID

SCHEMBL36173

1 reference

based on heuristic

inferred from InChIKey

1 reference

1 reference

DSSTOX compound identifier

DTXCID1028310

0 references

EC number

213-872-4

1 reference

ECHA Substance Infocard ID

UNII

27L0EP6IZK

retrieved

14 February 2018

100.012.612

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

Pirenoxine (English)

CAS no.: 1043-21-6 (English)

RxNorm ID

228080

1 reference

14 February 2018

1 reference

6 July 2021

CAS no.: 1043-21-6 (English)

Pirenoxine (English)

1 reference