INDINAVIR

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H47N5O4.H2O
Molecular Weight	631.8048
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of INDINAVIR

Structure Search

SMILES

O.CC(C)(C)NC(=O)[C@@H]1CN(CC2=CN=CC=C2)CCN1C[C@@H](O)C[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H]4[C@H](O)CC5=C4C=CC=C5

InChI

InChIKey=XTYSXGHMTNTKFH-BDEHJDMKSA-N

InChI=1S/C36H47N5O4.H2O/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43;/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45);1H2/t28-,29+,31+,32-,33+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C36H47N5O4
Molecular Weight	613.7895
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	H2O
Molecular Weight	18.0153
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 15:44:28 UTC 2023` Edited by `admin` on `Fri Dec 15 15:44:28 UTC 2023`
Record UNII	5W6YA9PKKH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

INDINAVIR

Official Name

English

INDINAVIR [USP-RS]

Common Name

English

INDINAVIR [USAN]

Common Name

English

(αR,γS,2S)-α-Benzyl-2-(tert-butylcarbamoyl)-γ-hydroxy-N-[(1S,2R)-2-hydroxy-1-indanyl]-4-(3-pyridylmethyl)-1-piperazinevaleramide monohydrate

Common Name

English

INDINAVIR SYSTEM SUITABILITY [USP-RS]

Common Name

English

Indinavir monohydrate [WHO-DD]

Common Name

English

INDINAVIR SYSTEM SUITABILITY

Common Name

English

INDINAVIR MONOHYDRATE

Common Name

English

INDINAVIR [VANDF]

Common Name

English

D-ERYTHRO-PENTONAMIDE, 2,3,5-TRIDEOXY-N-(2,3-DIHYDRO-2-HYDROXY-1H-INDEN-1-YL)-5-(2-(((1,1-DIMETHYLETHYL)AMINO)CARBONYL)-4-(3-PYRIDINYLMETHYL)-1-PIPERAZINYL)-2-(PHENYLMETHYL)-, MONOHYDRATE, (1(1S,2R),5(S))-

Common Name

English

Classification Tree Code System Code

LIVERTOX

NBK548674

Created by admin on Fri Dec 15 15:44:29 UTC 2023 , Edited by admin on Fri Dec 15 15:44:29 UTC 2023

WHO-ESSENTIAL MEDICINES LIST

6.4.2.3

Created by admin on Fri Dec 15 15:44:29 UTC 2023 , Edited by admin on Fri Dec 15 15:44:29 UTC 2023

WHO-ATC

J05AE02

Created by admin on Fri Dec 15 15:44:29 UTC 2023 , Edited by admin on Fri Dec 15 15:44:29 UTC 2023

NCI_THESAURUS

C97366

Created by admin on Fri Dec 15 15:44:29 UTC 2023 , Edited by admin on Fri Dec 15 15:44:29 UTC 2023

WHO-VATC

QJ05AE02

Created by admin on Fri Dec 15 15:44:29 UTC 2023 , Edited by admin on Fri Dec 15 15:44:29 UTC 2023

Code System Code Type Description

RXCUI

114289

Created by admin on Fri Dec 15 15:44:29 UTC 2023 , Edited by admin on Fri Dec 15 15:44:29 UTC 2023

PRIMARY

RxNorm

PUBCHEM

5484730

Created by admin on Fri Dec 15 15:44:29 UTC 2023 , Edited by admin on Fri Dec 15 15:44:29 UTC 2023

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SMS_ID

100000083391

Created by admin on Fri Dec 15 15:44:29 UTC 2023 , Edited by admin on Fri Dec 15 15:44:29 UTC 2023

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WIKIPEDIA

INDINAVIR

Created by admin on Fri Dec 15 15:44:29 UTC 2023 , Edited by admin on Fri Dec 15 15:44:29 UTC 2023

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EPA CompTox

DTXSID7023144

Created by admin on Fri Dec 15 15:44:29 UTC 2023 , Edited by admin on Fri Dec 15 15:44:29 UTC 2023

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USAN

II-15

Created by admin on Fri Dec 15 15:44:29 UTC 2023 , Edited by admin on Fri Dec 15 15:44:29 UTC 2023

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ChEMBL

CHEMBL115

Created by admin on Fri Dec 15 15:44:29 UTC 2023 , Edited by admin on Fri Dec 15 15:44:29 UTC 2023

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DAILYMED

5W6YA9PKKH

Created by admin on Fri Dec 15 15:44:29 UTC 2023 , Edited by admin on Fri Dec 15 15:44:29 UTC 2023

PRIMARY

CHEBI

44032

Created by admin on Fri Dec 15 15:44:29 UTC 2023 , Edited by admin on Fri Dec 15 15:44:29 UTC 2023

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NCI_THESAURUS

C66877

Created by admin on Fri Dec 15 15:44:29 UTC 2023 , Edited by admin on Fri Dec 15 15:44:29 UTC 2023

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CAS

180683-37-8

Created by admin on Fri Dec 15 15:44:29 UTC 2023 , Edited by admin on Fri Dec 15 15:44:29 UTC 2023

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DRUG CENTRAL

1437

Created by admin on Fri Dec 15 15:44:29 UTC 2023 , Edited by admin on Fri Dec 15 15:44:29 UTC 2023

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LACTMED

Indinavir

Created by admin on Fri Dec 15 15:44:29 UTC 2023 , Edited by admin on Fri Dec 15 15:44:29 UTC 2023

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MESH

D019469

Created by admin on Fri Dec 15 15:44:29 UTC 2023 , Edited by admin on Fri Dec 15 15:44:29 UTC 2023

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FDA UNII

5W6YA9PKKH

Created by admin on Fri Dec 15 15:44:29 UTC 2023 , Edited by admin on Fri Dec 15 15:44:29 UTC 2023

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RS_ITEM_NUM

1339178

Created by admin on Fri Dec 15 15:44:29 UTC 2023 , Edited by admin on Fri Dec 15 15:44:29 UTC 2023

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DRUG BANK

DB00224

Created by admin on Fri Dec 15 15:44:29 UTC 2023 , Edited by admin on Fri Dec 15 15:44:29 UTC 2023

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Related Record Type Details


					9MG78X43ZT

INDINAVIR ANHYDROUS

ANHYDROUS->SOLVATE


					Y49M64GZ4Q

MRP-1

TRANSPORTER -> SUBSTRATE

Amount:


					AIN96D6SGL

OATP1B1

TRANSPORTER -> INHIBITOR


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> SUBSTRATE


					4AF605U6JN

MRP-2

TRANSPORTER -> SUBSTRATE


					ONY583280Z

OCT-1

TRANSPORTER -> INHIBITOR


					G49RZO51ZC

OATP-B

TRANSPORTER -> INHIBITOR

Comments:

SUBSTRATE USED: Estrone 3-sulfate


					66DDF797LP

OATP-8

TRANSPORTER -> INHIBITOR


					1YV0492L5Z

MRP-3

TRANSPORTER -> SUBSTRATE

Related Record Type Details


					9MG78X43ZT

INDINAVIR ANHYDROUS

ACTIVE MOIETY