estradiol benzoate (Q11450699)

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chemical compound

[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate
Eston-B
estradiol 3-benzoate
oestradiol 3-benzoate
beta-estradiol 3-benzoate
oestradiol benzoate
estra-1,3,5(10)-triene-3,17beta-diol 3-benzoate
17beta-estradiol monobenzoate
oestradiol monobenzoate
estradiol monobenzoate
17-beta-Estradiol 3-benzoate

Language	Label	Description	Also known as
English	estradiol benzoate	chemical compound	[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate Eston-B estradiol 3-benzoate oestradiol 3-benzoate beta-estradiol 3-benzoate oestradiol benzoate estra-1,3,5(10)-triene-3,17beta-diol 3-benzoate 17beta-estradiol monobenzoate oestradiol monobenzoate estradiol monobenzoate 17-beta-Estradiol 3-benzoate

Statements

type of chemical entity

0 references

benzoic acid ester

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chemical structure

Estradiol benzoate.svg
512 × 292; 23 KB

0 references

376.203845±0 dalton

1 reference

language of work or name

estradiol benzoate (English)

8 October 2016

stereoisomer of

benzoic acid (17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) ester

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

isoestradiol 3-benzoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

α-estradiol 3-benzoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₂₈O₃

1 reference

language of work or name

estradiol benzoate (English)

19 November 2016

canonical SMILES

CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5

1 reference

language of work or name

estradiol benzoate (English)

19 November 2016

isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5

1 reference

language of work or name

estradiol benzoate (English)

19 November 2016

World Health Organisation international non-proprietary name

estradiol benzoate (English)

1 reference

language of work or name

17beta-estradiol 3-benzoate (English)

8 October 2016

subject has role

contraceptive agents

1 reference

Medical Subject Headings

MeSH descriptor ID

15 March 2018

Commons category

Estradiol benzoate

0 references

Identifiers

InChI=1S/C25H28O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t20-,21-,22+,23+,25+/m1/s1

1 reference

language of work or name

estradiol benzoate (English)

19 November 2016

UYIFTLBWAOGQBI-BZDYCCQFSA-N

2 references

language of work or name

estradiol benzoate (English)

19 November 2016

ChEBI release 2020-09-01

CAS Registry Number

2 references

Global Substance Registration System

language of work or name

estradiol benzoate (English)

19 November 2016

CAS Common Chemistry

7 April 2021

https://commonchemistry.cas.org/detail?cas_rn=50-50-0

UYIFTLBWAOGQBI-BZDYCCQFSA-N

1 reference

language of work or name

17beta-estradiol 3-benzoate (English)

19 November 2016

2 references

language of work or name

estradiol benzoate (English)

19 November 2016

matched by identifier from

UYIFTLBWAOGQBI-BZDYCCQFSA-N

Reaxys registry number

3107526

1 reference

language of work or name

17beta-estradiol 3-benzoate (English)

8 October 2016

mapping relation type

2 references

language of work or name

ESTRADIOL BENZOATE (English)

19 November 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C25H28O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t20-,21-,22+,23+,25+/m1/s1

1 reference

language of work or name

ESTRADIOL BENZOATE (English)

19 November 2016

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

UYIFTLBWAOGQBI-BZDYCCQFSA-N

UniChem compound ID

1 reference

DSSTox substance ID

2 references

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

matched by identifier from

UYIFTLBWAOGQBI-BZDYCCQFSA-N

DSSTOX compound identifier

0 references

0 references

0 references

200-043-7

1 reference

Global Substance Registration System

language of work or name

estradiol benzoate (English)

19 November 2016

ECHA Substance Infocard ID

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

Estradiol benzoate (English)

CAS no.: 50-50-0 (English)

AICS Chemical ID (BEING DELETED)

0 references

MeSH descriptor ID

1 reference

Medical Subject Headings

MeSH descriptor ID

14 March 2018

1 reference

Global Substance Registration System

language of work or name

estradiol benzoate (English)

19 November 2016

1 reference

matched by identifier from

UYIFTLBWAOGQBI-BZDYCCQFSA-N

2 references

Global Substance Registration System

language of work or name

estradiol benzoate (English)

19 November 2016

matched by identifier from

UYIFTLBWAOGQBI-BZDYCCQFSA-N

Probes And Drugs ID

0 references

1 reference

1 reference

language of work or name

17beta-estradiol 3-benzoate (English)

8 October 2016

1 reference

language of work or name

17beta-estradiol 3-benzoate (English)

8 October 2016

0 references

200907079469066954

0 references

Microsoft Academic ID

0 references

0 references

1 reference

26 January 2022

https://docs.openalex.org/download-snapshot/snapshot-data-format

Sitelinks

Wikipedia(6 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(1 entry)

commonswiki Category:Estradiol benzoate

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