leuprolide (Q907160)

Leuprorelin (English)

3 October 2016

chemical formula

C₅₉H₈₄N₁₆O₁₂

1 reference

Leuprorelin (English)

19 November 2016

canonical SMILES

CCNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6

1 reference

Leuprorelin (English)

19 November 2016

isomeric SMILES

CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6

1 reference

Leuprorelin (English)

parenteral route of administration

19 November 2016

defined daily dose

1 milligram

route of administration

1 reference

reference URL

https://www.whocc.no/atc_ddd_index/?code=L02AE02

0.134 milligram

route of administration

parenteral route of administration

1 reference

reference URL

https://www.whocc.no/atc_ddd_index/?code=L02AE02

active ingredient in

Lupron Depot

0 references

World Health Organisation international non-proprietary name

leuprorelin (English)

1 reference

Leuprolide (English)

medical condition treated

19 January 2016

1 reference

13 December 2016

endometrial carcinoma

1 reference

13 December 2016

1 reference

13 December 2016

prostatic hypertrophy

1 reference

13 December 2016

1 reference

13 December 2016

1 reference

13 December 2016

1 reference

13 December 2016

2 references

13 December 2016

Drug Indications Extracted from FAERS

2 October 2018

precocious puberty

1 reference

Drug Indications Extracted from FAERS

2 October 2018

25 October 1995

Food and Drug Administration

1 reference

Inxight: Drugs Database

https://drugs.ncats.io/drug/EFY6W0M8TG

2 November 2018

reference URL

http://www.accessdata.fda.gov/drugsatfda_docs/label/2012/020011s040lbl.pdf

physically interacts with

Gonadotropin releasing hormone receptor

subject has role

agonist

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

1175

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/Leuprolide

22 March 2018

1 reference

Leuprolide (English)

hormonal antineoplastic agent

17 November 2015

1 reference

Medical Subject Headings

MeSH descriptor ID

D016729

15 March 2018

female fertility agents

1 reference

InChI=1S/C59H84N16O12/c1-6-63-57(86)48-14-10-22-75(48)58(87)41(13-9-21-64-59(60)61)68-51(80)42(23-32(2)3)69-52(81)43(24-33(4)5)70-53(82)44(25-34-15-17-37(77)18-16-34)71-56(85)47(30-76)74-54(83)45(26-35-28-65-39-12-8-7-11-38(35)39)72-55(84)46(27-36-29-62-31-66-36)73-50(79)40-19-20-49(78)67-40/h7-8,11-12,15-18,28-29,31-33,40-48,65,76-77H,6,9-10,13-14,19-27,30H2,1-5H3,(H,62,66)(H,63,86)(H,67,78)(H,68,80)(H,69,81)(H,70,82)(H,71,85)(H,72,84)(H,73,79)(H,74,83)(H4,60,61,64)/t40-,41-,42-,43+,44-,45-,46-,47-,48-/m0/s1

Medical Subject Headings

15 March 2018

0 references

Leuprorelin

0 references

Identifiers

InChI

1 reference

based on heuristic

inferred from SMILES

2 references

Leuprorelin (English)

19 November 2016

ChEBI release 2020-09-01

CAS Registry Number

53714-56-0

1 reference

Global Substance Registration System

UNII

EFY6W0M8TG

leuprolide (English)

19 November 2016

1 reference

Leuprorelin (English)

19 November 2016

2 references

Leuprorelin (English)

19 November 2016

Reaxys registry number

741818

1 reference

leuprolide (English)

3 October 2016

mapping relation type

2 references

LEUPROLIDE (English)

19 November 2016

International Chemical Identifier

InChI

InChI=1S/C59H84N16O12/c1-6-63-57(86)48-14-10-22-75(48)58(87)41(13-9-21-64-59(60)61)68-51(80)42(23-32(2)3)69-52(81)43(24-33(4)5)70-53(82)44(25-34-15-17-37(77)18-16-34)71-56(85)47(30-76)74-54(83)45(26-35-28-65-39-12-8-7-11-38(35)39)72-55(84)46(27-36-29-62-31-66-36)73-50(79)40-19-20-49(78)67-40/h7-8,11-12,15-18,28-29,31-33,40-48,65,76-77H,6,9-10,13-14,19-27,30H2,1-5H3,(H,62,66)(H,63,86)(H,67,78)(H,68,80)(H,69,81)(H,70,82)(H,71,85)(H,72,84)(H,73,79)(H,74,83)(H4,60,61,64)/t40-,41-,42-,43+,44-,45-,46-,47-,48-/m0/s1

1 reference

LEUPROLIDE (English)

19 November 2016

2 references

inferred from InChIKey

Hazardous Substances Data Bank

1 reference

1 reference

28 October 2019

LEUPROLIDE (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

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.161.466

27 December 2018

ECHA Substance Infocard ID

1-[5-carbamimidamido-2-(2-{2-[2-(3-hydroxy-2-{2-[3-(1H-imidazol-4-yl)-2-[(5-oxopyrrolidin-2-yl)formamido]propanamido]-3-(1H-indol-3-yl)propanamido}propanamido)-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido}-4-methylpentanamido)pentanoyl]-N-ethylpyrrolidine-2-carboxamide (English)

quotation

CAS no.: 53714-56-0 (English)

100.161.466

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.161.466

27 December 2018

1-[5-carbamimidamido-2-(2-{2-[2-(3-hydroxy-2-{2-[3-(1H-imidazol-4-yl)-2-[(5-oxopyrrolidin-2-yl)formamido]propanamido]-3-(1H-indol-3-yl)propanamido}propanamido)-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido}-4-methylpentanamido)pentanoyl]-N-ethylpyrrolidine-2-carboxamide (English)

quotation

CAS no.: 53714-56-0 (English)

1 reference