(Q27269802)

Betamethasone 17-benzoate (English)

17 November 2016

chemical formula

C₂₉H₃₃FO₆

1 reference

Betamethasone 17-benzoate (English)

17 November 2016

canonical SMILES

CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)OC(=O)C5=CC=CC=C5)C)O)F)C

1 reference

Betamethasone 17-benzoate (English)

17 November 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)OC(=O)C5=CC=CC=C5)C)O)F)C

1 reference

Betamethasone 17-benzoate (English)

17 November 2016

subject has role

anti-inflammatory agent

1 reference

Medical Subject Headings

15 March 2018

1 reference

Medical Subject Headings

MeSH descriptor ID

C015706

InChI=1S/C29H33FO6/c1-17-13-22-21-10-9-19-14-20(32)11-12-26(19,2)28(21,30)23(33)15-27(22,3)29(17,24(34)16-31)36-25(35)18-7-5-4-6-8-18/h4-8,11-12,14,17,21-23,31,33H,9-10,13,15-16H2,1-3H3/t17-,21-,22-,23-,26-,27-,28-,29-/m0/s1

15 March 2018

Identifiers

InChI

1 reference

Betamethasone 17-benzoate (English)

17 November 2016

2 references

Betamethasone 17-benzoate (English)

17 November 2016

ChEBI release 2020-09-01

CAS Registry Number

22298-29-9

2 references

betamethasone benzoate (English)

17 November 2016

https://commonchemistry.cas.org/detail?cas_rn=22298-29-9

10 April 2021

1 reference

betamethasone 17-benzoate (English)

17 November 2016

2 references

Betamethasone 17-benzoate (English)

17 November 2016

ChEBI ID

135798

mapping relation type

exact match

2 references

ChEBI release 2019-10-02

International Chemical Identifier

InChI

InChI=1S/C29H33FO6/c1-17-13-22-21-10-9-19-14-20(32)11-12-26(19,2)28(21,30)23(33)15-27(22,3)29(17,24(34)16-31)36-25(35)18-7-5-4-6-8-18/h4-8,11-12,14,17,21-23,31,33H,9-10,13,15-16H2,1-3H3/t17-,21-,22-,23-,26-,27-,28-,29-/m0/s1

1 reference

BETAMETHASONE BENZOATE (English)

17 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

DTXCID502670

0 references

EC number

244-897-9

1 reference

betamethasone benzoate (English)

ECHA Substance Infocard ID

17 November 2016

100.040.801

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.040.801

27 December 2018

Betamethasone 17-benzoate (English)

quotation

CAS no.: 22298-29-9 (English)

MeSH descriptor ID

C015706

1 reference

Medical Subject Headings

14 March 2018

1 reference

betamethasone benzoate (English)

17 November 2016

0 references

2 references

betamethasone benzoate (English)

17 November 2016

NDF-RT ID

N0000146954

1 reference

Google Knowledge Graph ID

betamethasone benzoate (English)

17 November 2016

0 references

1 reference

0 references

0 references

0 references

1 reference

betamethasone benzoate (English)

inferred by common MeSH mappings on source and on Wikidata

17 November 2016

C4549055

1 reference

based on heuristic

UMLS 2023