(Q5508491)

inferred from isomeric SMILES

Fulvestrant (English)

publication date

17 November 2015

chemical structure

Fulvestrant.svg
2,712 × 873; 5 KB

0 references

mass

606.3166074639998 dalton

1 reference

based on heuristic

chemical formula

C₃₂H₄₇F₅O₃S

1 reference

language of work or name

DB00947 (English)

4 October 2016

CC12CCC3C(C1CCC2O)C(CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F

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isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F

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defined daily dose

8.3 milligram

route of administration

intramuscular injection

1 reference

reference URL

https://www.whocc.no/atc_ddd_index/?code=L02BA03

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0 references

1 reference

14 February 2018

World Health Organisation international non-proprietary name

fulvestrant (English)

1 reference

https://www.who.int/medicines/services/inn/StemBook2009.pdf

The use of stems in the selection of International Nonproprietary Names (INN) for pharmaceutical substances (English)

reference URL

publication date

26 October 2009

publisher

World Health Organization

medical condition treated

1 reference

language of work or name

English

LiverTox likelihood score

13 December 2016

LiverTox toxicity likelihood category E*

1 reference

8 April 2021

https://www.ncbi.nlm.nih.gov/books/n/livertox/Fulvestrant

last update

6 February 2018

subject has role

selective estrogen-receptor modulators

1 reference

5 March 2018

hormonal antineoplastic agent

1 reference

Medical Subject Headings

MeSH descriptor ID

C070081

estrogen receptor antagonists

15 March 2018

1 reference

InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1

Medical Subject Headings

15 March 2018

Fulvestrant

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Identifiers

InChI

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InChIKey

VWUXBMIQPBEWFH-WCCTWKNTSA-N

1 reference

VWUXBMIQPBEWFH-WCCTWKNTSA-N

ChEBI release 2020-09-01

CAS Registry Number

129453-61-8

1 reference

InChIKey

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=129453-61-8

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mapping relation type

0 references

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1 reference

splash10-0a4i-0921200000-0c715ee3d6bca5f4a412

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splash10-004r-0090008000-7b24ef7bf48a744fa384

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splash10-004i-0000009000-2f00ca046f922b878e56

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splash10-004i-0000009000-f2d8865f7ea02d01a8f7

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splash10-0a4i-0030009000-7bd1085c6a07da424d00

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splash10-0a4i-0000019000-ed06388acfc7e327431c

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splash10-000i-0000092000-786795e7cade6f4a134b

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HSDB ID

7658

1 reference

Hazardous Substances Data Bank

28 October 2019

FULVESTRANT (English)

10 May 2021

1 reference

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

DSSTOX compound identifier

0 references

0 references

0 references

642-998-6

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.170.955

27 December 2018

ECHA Substance Infocard ID

(17β)-7-{9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1,3,5(10)-triene-3,17-diol (English)

quotation

CAS no.: 129453-61-8 (English)

100.170.955

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.170.955

27 December 2018