cloprednol (Q3680915)

inferred from isomeric SMILES

CC12C=CC(=O)C=C1C(Cl)=CC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO

1 reference

based on heuristic

isomeric SMILES

C[C@]12C[C@H](O)[C@H]3[C@@H](C=C(Cl)C4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO

1 reference

retrieved

14 February 2018

C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C=C(C4=CC(=O)C=C[C@]34C)Cl)O

0 references

NCI Thesaurus ID

C80809

1 reference

InChI=1S/C21H25ClO5/c1-19-5-3-11(24)7-14(19)15(22)8-12-13-4-6-21(27,17(26)10-23)20(13,2)9-16(25)18(12)19/h3,5,7-8,12-13,16,18,23,25,27H,4,6,9-10H2,1-2H3/t12?,13-,16-,18+,19-,20-,21-/m0/s1

14 February 2018

Cloprednol

0 references

Identifiers

InChI

1 reference

PubChem

2 references

14 February 2018

ChEBI release 2020-09-01

CAS Registry Number

5251-34-3

2 references

14 February 2018

https://commonchemistry.cas.org/detail?cas_rn=5251-34-3

10 April 2021

ChemSpider ID

4447592

1 reference

English Wikipedia

PubChem CID

10023463

1 reference

Italian Wikipedia

5284535

1 reference

ChEBI ID

135619

mapping relation type

exact match

1 reference

ChEBI release 2019-10-02

ChEMBL ID

CHEMBL1697832

1 reference

2 references

inferred from InChIKey

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

1 reference

2 references

DSSTOX compound identifier

DTXCID602849

0 references

EC number

226-052-6

1 reference

ECHA Substance Infocard ID

retrieved

14 February 2018

100.023.684

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

Cloprednol (English)

CAS no.: 5251-34-3 (English)

0 references

1 reference

14 February 2018

1 reference

language of work or name

Cloprednol (English)

3 July 2018

1 reference

2 references

retrieved

14 February 2018

0 references

1 reference