chloroprednisone (Q5103160)

Chloroprednisone (English)

14 October 2016

chemical formula

C₂₁H₂₅ClO₅

1 reference

Chloroprednisone (English)

14 October 2016

canonical SMILES

CC12CC(=O)C3C(C1CCC2(C(=O)CO)O)CC(C4=CC(=O)C=CC34C)Cl

1 reference

Chloroprednisone (English)

14 October 2016

isomeric SMILES

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

1 reference

Chloroprednisone (English)

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/h3,5,7,12-13,15,18,23,27H,4,6,8-10H2,1-2H3/t12-,13-,15-,18+,19-,20-,21-/m0/s1

14 October 2016

Identifiers

InChI

1 reference

Chloroprednisone (English)

14 October 2016

2 references

Chloroprednisone (English)

14 October 2016

ChEBI release 2020-09-01

CAS Registry Number

52080-57-6

2 references

Global Substance Registration System

chloroprednisone (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=52080-57-6

9 April 2021

1 reference

chloroprednisone (English)

14 October 2016

2 references

Chloroprednisone (English)

14 October 2016

ChEBI ID

135618

mapping relation type

exact match

2 references

ChEBI release 2019-10-02

International Chemical Identifier

InChI

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/h3,5,7,12-13,15,18,23,27H,4,6,8-10H2,1-2H3/t12-,13-,15-,18+,19-,20-,21-/m0/s1

SureChEMBL ID

SCHEMBL24947

2 references

based on heuristic

inferred from InChIKey

1 reference

257-644-2

1 reference

Global Substance Registration System

chloroprednisone (English)

ECHA Substance Infocard ID

14 October 2016

100.052.387

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.052.387

27 December 2018

Chloroprednisone (English)

quotation

CAS no.: 52080-57-6 (English)

DrugBank ID

DB15970

1 reference

2 references

Global Substance Registration System

chloroprednisone (English)

14 October 2016