meclorisone (Q27281821)

Meclorisone (English)

14 October 2016

chemical formula

C₂₂H₂₈Cl₂O₄

1 reference

Meclorisone (English)

14 October 2016

canonical SMILES

CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)Cl)Cl)C

1 reference

Meclorisone (English)

14 October 2016

isomeric SMILES

C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)Cl)Cl)C

1 reference

Meclorisone (English)

InChI=1S/C22H28Cl2O4/c1-12-8-16-15-5-4-13-9-14(26)6-7-19(13,2)21(15,24)17(23)10-20(16,3)22(12,28)18(27)11-25/h6-7,9,12,15-17,25,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1

14 October 2016

Identifiers

InChI

1 reference

Meclorisone (English)

14 October 2016

1 reference

Global Substance Registration System

Meclorisone (English)

14 October 2016

2 references

UNII

K18P43Q80N

meclorisone (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=4732-48-3

10 April 2021

1 reference

Meclorisone (English)

14 October 2016

2 references

Meclorisone (English)

14 October 2016

SureChEMBL ID

SCHEMBL142416

2 references

based on heuristic

inferred from InChIKey

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

1 reference

2 references

DSSTOX compound identifier

0 references

0 references

2 references

Global Substance Registration System

UNII

K18P43Q80N

meclorisone (English)

14 October 2016