RALTEGRAVIR

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H21FN6O5
Molecular Weight	444.4163
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of RALTEGRAVIR

Structure Search

SMILES

CN1C(=O)C(O)=C(N=C1C(C)(C)NC(=O)C2=NN=C(C)O2)C(=O)NCC3=CC=C(F)C=C3

InChI

InChIKey=CZFFBEXEKNGXKS-UHFFFAOYSA-N

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)

HIDE SMILES / InChI

Molecular Formula	C20H21FN6O5
Molecular Weight	444.4163
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:02:32 UTC 2023` Edited by `admin` on `Fri Dec 15 16:02:32 UTC 2023`
Record UNII	22VKV8053U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RALTEGRAVIR

Official Name

English

RALTEGRAVIR [MART.]

Common Name

English

RALTEGRAVIR [VANDF]

Common Name

English

Raltegravir [WHO-DD]

Common Name

English

MK-0518

Code

English

RALTEGRAVIR [MI]

Common Name

English

RALTEGRAVIR [EMA EPAR]

Common Name

English

N-(4-FLUOROBENZYL)-5-HYDROXY-1-METHYL-2-(1-METHYL-1-(((5-METHYL-1,3,4-OXADIAZOL-2-YL)CARBONYL)AMINO)ETHYL)-6-OXO-1,6-DIHYDROPYRIMIDINE-4-CARBOXAMIDE

Systematic Name

English

raltegravir [INN]

Common Name

English

4-PYRIMIDINECARBOXAMIDE, 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-

Systematic Name

English

N-(2-(4-(4-FLUOROBENZYLCARBAMOYL)-5-HYDROXY-1-METHYL-6-OXO-1,6- DIHYDROPYRIMIDIN-2-YL)PROPAN-2-YL)-5-METHYL-1,3,4-OXADIAZOLE-2-CARBOXAMIDE

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C281

Created by admin on Fri Dec 15 16:02:32 UTC 2023 , Edited by admin on Fri Dec 15 16:02:32 UTC 2023

WHO-ATC

J05AX08

Created by admin on Fri Dec 15 16:02:32 UTC 2023 , Edited by admin on Fri Dec 15 16:02:32 UTC 2023

NDF-RT

N0000175887

Created by admin on Fri Dec 15 16:02:32 UTC 2023 , Edited by admin on Fri Dec 15 16:02:32 UTC 2023

WHO-ATC

J05AR16

Created by admin on Fri Dec 15 16:02:32 UTC 2023 , Edited by admin on Fri Dec 15 16:02:32 UTC 2023

EMA ASSESSMENT REPORTS

ISENTRESS (AUHTORIZED: HIV INFECTIONS)

Created by admin on Fri Dec 15 16:02:32 UTC 2023 , Edited by admin on Fri Dec 15 16:02:32 UTC 2023

LIVERTOX

NBK548313

Created by admin on Fri Dec 15 16:02:32 UTC 2023 , Edited by admin on Fri Dec 15 16:02:32 UTC 2023

WHO-VATC

QJ05AX08

Created by admin on Fri Dec 15 16:02:32 UTC 2023 , Edited by admin on Fri Dec 15 16:02:32 UTC 2023

NDF-RT

N0000000127

Created by admin on Fri Dec 15 16:02:32 UTC 2023 , Edited by admin on Fri Dec 15 16:02:32 UTC 2023

Code System Code Type Description

EVMPD

SUB25667

Created by admin on Fri Dec 15 16:02:32 UTC 2023 , Edited by admin on Fri Dec 15 16:02:32 UTC 2023

PRIMARY

INN

8842

Created by admin on Fri Dec 15 16:02:32 UTC 2023 , Edited by admin on Fri Dec 15 16:02:32 UTC 2023

PRIMARY

CAS

518048-05-0

Created by admin on Fri Dec 15 16:02:32 UTC 2023 , Edited by admin on Fri Dec 15 16:02:32 UTC 2023

PRIMARY

PUBCHEM

54671008

Created by admin on Fri Dec 15 16:02:32 UTC 2023 , Edited by admin on Fri Dec 15 16:02:32 UTC 2023

PRIMARY

NCI_THESAURUS

C72837

Created by admin on Fri Dec 15 16:02:32 UTC 2023 , Edited by admin on Fri Dec 15 16:02:32 UTC 2023

PRIMARY

CHEBI

82960

Created by admin on Fri Dec 15 16:02:32 UTC 2023 , Edited by admin on Fri Dec 15 16:02:32 UTC 2023

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DAILYMED

22VKV8053U

Created by admin on Fri Dec 15 16:02:32 UTC 2023 , Edited by admin on Fri Dec 15 16:02:32 UTC 2023

PRIMARY

MESH

C507898

Created by admin on Fri Dec 15 16:02:32 UTC 2023 , Edited by admin on Fri Dec 15 16:02:32 UTC 2023

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DRUG CENTRAL

2352

Created by admin on Fri Dec 15 16:02:32 UTC 2023 , Edited by admin on Fri Dec 15 16:02:32 UTC 2023

PRIMARY

HSDB

8124

Created by admin on Fri Dec 15 16:02:32 UTC 2023 , Edited by admin on Fri Dec 15 16:02:32 UTC 2023

PRIMARY

LACTMED

Raltegravir

Created by admin on Fri Dec 15 16:02:32 UTC 2023 , Edited by admin on Fri Dec 15 16:02:32 UTC 2023

PRIMARY

MERCK INDEX

m9486

Created by admin on Fri Dec 15 16:02:32 UTC 2023 , Edited by admin on Fri Dec 15 16:02:32 UTC 2023

PRIMARY

Merck Index

USAN

TT-71

Created by admin on Fri Dec 15 16:02:32 UTC 2023 , Edited by admin on Fri Dec 15 16:02:32 UTC 2023

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EPA CompTox

DTXSID2048660

Created by admin on Fri Dec 15 16:02:32 UTC 2023 , Edited by admin on Fri Dec 15 16:02:32 UTC 2023

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DRUG BANK

DB06817

Created by admin on Fri Dec 15 16:02:32 UTC 2023 , Edited by admin on Fri Dec 15 16:02:32 UTC 2023

PRIMARY

SMS_ID

100000091686

Created by admin on Fri Dec 15 16:02:32 UTC 2023 , Edited by admin on Fri Dec 15 16:02:32 UTC 2023

PRIMARY

ChEMBL

CHEMBL254316

Created by admin on Fri Dec 15 16:02:32 UTC 2023 , Edited by admin on Fri Dec 15 16:02:32 UTC 2023

PRIMARY

WIKIPEDIA

RALTEGRAVIR

Created by admin on Fri Dec 15 16:02:32 UTC 2023 , Edited by admin on Fri Dec 15 16:02:32 UTC 2023

PRIMARY

FDA UNII

22VKV8053U

Created by admin on Fri Dec 15 16:02:32 UTC 2023 , Edited by admin on Fri Dec 15 16:02:32 UTC 2023

PRIMARY

RXCUI

719872

Created by admin on Fri Dec 15 16:02:32 UTC 2023 , Edited by admin on Fri Dec 15 16:02:32 UTC 2023

PRIMARY

RxNorm

Related Record Type Details


					22VKV8053U

EXCRETED UNCHANGED

Comments:

Following administration of a single dose of 200 mg [14 C] raltegravir to young healthy subjects (Protocol 011), approximately 83.0% of the radioactivity dose was recovered, with 51.1% in feces and 31.8% in-urine over a 10-day period.

Interaction Type:

AMOUNT EXCRETED

Qualification:

URINE

Amount:


					0RFO7VC96N

URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A1

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MAJOR

Amount:


					859A956UY8

HUMAN IMMUNODEFICIENCY VIRUS TYPE 1

TARGET ORGANISM->INHIBITOR

Amount:


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> SUBSTRATE


					5G8B507W3F

RALTEGRAVIR F-18

LABELED -> NON-LABELED

Amount:


					YY6481J2FF

HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 INTEGRASE

TARGET -> INHIBITOR


					IHQ709299P

URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A3

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MINOR


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					3318TFY23Q

URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A9

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MINOR


					43Y000U234

RALTEGRAVIR POTASSIUM

SALT/SOLVATE -> PARENT

Amount:

Related Record Type Details


					Q53CNM2XZH

RALTEGRAVIR BETA-D-GLUCURONIDE

METABOLITE INACTIVE -> PARENT

Interaction Type:

MAJOR

Qualification:

FECAL; URINE

Related Record Type Details


					5U1A5S652K

RALTEGRAVIR AMINE

IMPURITY -> PARENT

Comments:

This is a process impurity controlled in the drug substance and not monitored in the drug product [USP]


					5U1A5S652K

RALTEGRAVIR AMINE

IMPURITY -> PARENT

Amount:

Related Record Type Details


					22VKV8053U

ACTIVE MOIETY

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Tmax	PHARMACOKINETIC				ORAL ADMINISTRATION SINGLE DOSE FASTED CONDITION

Biological Half-life	PHARMACOKINETIC				Elimination PHARMACOKINETIC