(Q6824052)

Methylprednisolone aceponate (English)

18 November 2016

chemical formula

C₂₇H₃₆O₇

1 reference

Methylprednisolone aceponate (English)

18 November 2016

canonical SMILES

CCC(=O)OC1(CCC2C1(CC(C3C2CC(C4=CC(=O)C=CC34C)C)O)C)C(=O)COC(=O)C

1 reference

Methylprednisolone aceponate (English)

18 November 2016

isomeric SMILES

CCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2C[C@@H](C4=CC(=O)C=C[C@]34C)C)O)C)C(=O)COC(=O)C

1 reference

Methylprednisolone aceponate (English)

18 November 2016

subject has role

anti-inflammatory agent

1 reference

Medical Subject Headings

MeSH descriptor ID

C078007

InChI=1S/C27H36O7/c1-6-23(32)34-27(22(31)14-33-16(3)28)10-8-19-18-11-15(2)20-12-17(29)7-9-25(20,4)24(18)21(30)13-26(19,27)5/h7,9,12,15,18-19,21,24,30H,6,8,10-11,13-14H2,1-5H3/t15-,18-,19-,21-,24+,25-,26-,27-/m0/s1

15 March 2018

Identifiers

InChI

1 reference

Methylprednisolone aceponate (English)

18 November 2016

2 references

Methylprednisolone aceponate (English)

18 November 2016

ChEBI release 2020-09-01

CAS Registry Number

86401-95-8

2 references

Global Substance Registration System

methylprednisolone aceponate (English)

18 November 2016

https://commonchemistry.cas.org/detail?cas_rn=86401-95-8

10 April 2021

1 reference

Methylprednisolone aceponate (English)

18 November 2016

2 references

Methylprednisolone aceponate (English)

18 November 2016

ChEBI ID

135762

mapping relation type

exact match

2 references

ChEBI release 2019-10-02

International Chemical Identifier

InChI

InChI=1S/C27H36O7/c1-6-23(32)34-27(22(31)14-33-16(3)28)10-8-19-18-11-15(2)20-12-17(29)7-9-25(20,4)24(18)21(30)13-26(19,27)5/h7,9,12,15,18-19,21,24,30H,6,8,10-11,13-14H2,1-5H3/t15-,18-,19-,21-,24+,25-,26-,27-/m0/s1

1 reference

METHYLPREDNISOLONE ACEPONATE (English)

18 November 2016

2 references

inferred from InChIKey

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

1 reference

2 references

DSSTOX compound identifier

DTXCID303301

0 references

EC number

658-084-5

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.184.880

27 December 2018

ECHA Substance Infocard ID

21-Acetoxy-11beta-hydroxy-6alpha-methyl-17-propionyloxy-1,4-pregnadien-3,20-dion (English)

quotation

CAS no.: 86401-95-8 (English)

100.184.880

1 reference

reference URL

http://echa.europa.eu/de/information-on-chemicals/registered-substances

0 references

1 reference

Medical Subject Headings

14 March 2018

1 reference

Global Substance Registration System

methylprednisolone aceponate (English)

18 November 2016

1 reference

6 July 2021

CAS no.: 86401-95-8 (English)

Methylprednisolone aceponate (English)

DB14643

1 reference

2 references

Global Substance Registration System

methylprednisolone aceponate (English)

18 November 2016

inferred by common MeSH mappings on source and on Wikidata

0 references

1 reference

0 references

Microsoft Academic ID

0 references

1 reference

UMLS 2023