finasteride (Q424167)

finasteride (English)

(1S,3aS,3bR,5aR,9aR,9bR,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide

19 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₃H₃₆N₂O₂

1 reference

finasteride (English)

19 November 2016

canonical SMILES

CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CCC4C3(C=CC(=O)N4)C

1 reference

finasteride (English)

19 November 2016

isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H]4[C@@]3(C=CC(=O)N4)C

1 reference

finasteride (English)

https://www.whocc.no/atc_ddd_index/?code=G04CB01

19 November 2016

defined daily dose

5 milligram

route of administration

oral administration

1 reference

reference URL

1 milligram

route of administration

oral administration

1 reference

reference URL

https://www.whocc.no/atc_ddd_index/?code=D11AX10

1 reference

14 February 2018

1 reference

14 February 2018

World Health Organisation international non-proprietary name

finasteride (English)

1 reference

finasteride (English)

medical condition treated

19 October 2016

1 reference

Drug Indications Extracted from FAERS

13 December 2016

1 reference

2 October 2018

prostate disease

1 reference

Drug Indications Extracted from FAERS

Food and Drug Administration

2 October 2018

prostatic hypertrophy

start time

18 June 1992

approved by

1 reference

Inxight: Drugs Database

https://drugs.ncats.io/drug/57GNO57U7G

2 November 2018

reference URL

http://www.accessdata.fda.gov/drugsatfda_docs/label/2010/020180s037lbl.pdf

Benign Prostatic Hyperplasia

0 references

physically interacts with

Steroid 5 alpha-reductase 2

subject has role

enzyme inhibitor

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

6818

LiverTox likelihood score

17 August 2016

LiverTox toxicity likelihood category E

1 reference

8 April 2021

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

last update

9 January 2018

subject has role

5-alpha-reductase inhibitors

1 reference

InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1

Medical Subject Headings

15 March 2018

1 reference

Medical Subject Headings

15 March 2018

Finasteride

0 references

Identifiers

InChI

1 reference

finasteride (English)

19 November 2016

2 references

finasteride (English)

19 November 2016

ChEBI release 2020-09-01

CAS Registry Number

98319-26-7

2 references

Global Substance Registration System

UNII

57GNO57U7G

finasteride (English)

19 November 2016

https://commonchemistry.cas.org/detail?cas_rn=98319-26-7

9 April 2021

1 reference

Finasteride (English)

19 November 2016

2 references

finasteride (English)

19 November 2016

Reaxys registry number

4269024

1 reference

finasteride (English)

19 October 2016

ChEBI ID

5062

mapping relation type

2 references

FINASTERIDE (English)

19 November 2016

International Chemical Identifier

InChI

InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1

1 reference

FINASTERIDE (English)

19 November 2016

2 references

inferred from InChIKey

splash10-0002-5900000000-3ad6a0d10c51f9892144

1 reference

MassBank accession ID

0 references

0 references

0 references

0 references

0 references

0 references

splash10-0a4i-0119000000-f683db304300c01e907a

0 references

splash10-0a4i-0129000000-a097bfd2187d4d4c97c6

0 references

splash10-00xr-0119000000-43c6646bf19d62255966

0 references

splash10-01b9-2539000000-c47506144391db372c4b

0 references

splash10-014i-0900000000-a55cf309ee5a976c5e45

0 references

HSDB ID

6793

1 reference

Hazardous Substances Data Bank

28 October 2019

FINASTERIDE (English)

10 May 2021

2 references

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

DSSTOX compound identifier

0 references

0 references

0 references

0 references

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.149.445

27 December 2018

ECHA Substance Infocard ID

(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide (English)

quotation

CAS no.: 98319-26-7 (English)

100.149.445

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.149.445

27 December 2018

(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide (English)

quotation

CAS no.: 98319-26-7 (English)

1 reference