halopredone (Q27264795)

Halopredone (English)

14 October 2016

chemical formula

C₂₁H₂₅BrF₂O₅

1 reference

Halopredone (English)

14 October 2016

canonical SMILES

CC12CC(C3(C(C1CCC2(C(=O)CO)O)CC(C4=CC(=O)C(=CC43C)Br)F)F)O

1 reference

Halopredone (English)

14 October 2016

isomeric SMILES

C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C[C@H](C4=CC(=O)C(=C[C@@]43C)Br)F)F)O

1 reference

Halopredone (English)

InChI=1S/C21H25BrF2O5/c1-18-8-16(27)21(24)11(10(18)3-4-20(18,29)17(28)9-25)5-14(23)12-6-15(26)13(22)7-19(12,21)2/h6-7,10-11,14,16,25,27,29H,3-5,8-9H2,1-2H3/t10-,11-,14+,16-,18-,19-,20-,21-/m0/s1

14 October 2016

Identifiers

InChI

1 reference

Halopredone (English)

14 October 2016

1 reference

Global Substance Registration System

Halopredone (English)

14 October 2016

2 references

halopredone (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=57781-15-4

9 April 2021

1 reference

2-Brom-6beta,9-difluor-11beta,17,21-trihydroxy-1,4-pregnadien-3,20-dion (English)

14 October 2016

2 references

Halopredone (English)

matched by identifier from

14 October 2016

1 reference

matched by identifier from

CHEMBL3250144 (English)

14 October 2016

1 reference

1 reference

Global Substance Registration System

EC number

260-953-5

1 reference

stated in

halopredone (English)

ECHA Substance Infocard ID

14 October 2016

100.055.394

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.055.394

27 December 2018

Halopredone (English)

quotation

CAS no.: 57781-15-4 (English)

Global Substance Registration System

2 references

stated in

halopredone (English)

matched by identifier from

14 October 2016