raltegravir (Q421552)

DrugBank

image of molecular model or crystal lattice model

17 November 2015

Raltegravir structure.svg
816 × 274; 7 KB

0 references

Raltegravir-3D-balls.png
2,693 × 1,000; 541 KB

depicts

ball-and-stick model

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mass

444.156 dalton

1 reference

Raltegravir (English)

19 October 2016

chemical formula

C₂₀H₂₁FN₆O₅

1 reference

Raltegravir (English)

19 November 2016

canonical SMILES

CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)O)C(=O)NCC3=CC=C(C=C3)F

1 reference

Raltegravir (English)

https://www.whocc.no/atc_ddd_index/?code=J05AX08

19 November 2016

defined daily dose

0.8 gram

route of administration

oral administration

1 reference

reference URL

1 reference

14 February 2018

World Health Organisation international non-proprietary name

raltegravir (English)

1 reference

Raltegravir (English)

19 January 2016

found in taxon

Stachybotrys chartarum

1 reference

Phenylspirodrimanes with anti-HIV activity from the sponge-derived fungus Stachybotrys chartarum MXH-X73.

medical condition treated

HIV/AIDS

1 reference

Drug Indications Extracted from FAERS

human immunodeficiency virus infectious disease

2 October 2018

start time

12 October 2007

approved by

Food and Drug Administration

1 reference

Inxight: Drugs Database

https://drugs.ncats.io/drug/22VKV8053U

2 November 2018

reference URL

http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/022145s035,203045s012,205786s003lbl.pdf

pregnancy category

US pregnancy category C

1 reference

imported from Wikimedia project

English Wikipedia

LiverTox likelihood score

LiverTox toxicity likelihood category E*

1 reference

8 April 2021

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

last update

30 January 2018

subject has role

HIV integrase inhibitors

1 reference

5 March 2018

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Raltegravir

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catalog

CAS COVID-19 Anti-Viral Candidate Compounds

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Identifiers

InChI

InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)

1 reference

Raltegravir (English)

19 November 2016

1 reference

Global Substance Registration System

Raltegravir (English)

19 November 2016

2 references

UNII

22VKV8053U

raltegravir (English)

19 November 2016

https://commonchemistry.cas.org/detail?cas_rn=518048-05-0

8 April 2021

1 reference

Raltegravir (English)

19 October 2016

1 reference

Raltegravir (English)

matched by identifier from

19 November 2016

ChEBI ID

82960

mapping relation type

exact match

1 reference

International Chemical Identifier

InChI

InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)

1 reference

matched by identifier from

RALTEGRAVIR (English)

19 November 2016

2 references

inferred from InChIKey

splash10-014i-0011900000-1f750fd89ed368c2519a

1 reference

0 references

HSDB ID

8124

1 reference

Hazardous Substances Data Bank

28 October 2019

Raltegravir (English)

10 May 2021

2 references

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

matched by identifier from

DSSTOX compound identifier

0 references

0 references

610-733-3

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.124.631

27 December 2018

ECHA Substance Infocard ID

N-[(4-fluorophenyl)methyl]-1,6-dihydro-5-hydroxy-1-methyl-2-[1-methyl-1-[[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino]ethyl]-6-oxo-4-pyrimidinecarboxamide (English)

quotation

CAS no.: 518048-05-0 (English)

100.124.631

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.124.631

27 December 2018

N-[(4-fluorophenyl)methyl]-1,6-dihydro-5-hydroxy-1-methyl-2-[1-methyl-1-[[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino]ethyl]-6-oxo-4-pyrimidinecarboxamide (English)

quotation

CAS no.: 518048-05-0 (English)

1 reference