INDINAVIR ANHYDROUS

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H47N5O4
Molecular Weight	613.7895
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of INDINAVIR ANHYDROUS

Structure Search

SMILES

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=CBVCZFGXHXORBI-PXQQMZJSSA-N

InChI=1S/C36H47N5O4/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)/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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:03:37 UTC 2023` Edited by `admin` on `Fri Dec 15 16:03:37 UTC 2023`
Record UNII	9MG78X43ZT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

INDINAVIR ANHYDROUS

Common Name

English

(.ALPHA.R,.GAMMA.S,2S)-.ALPHA.-BENZYL-2-(TERT-BUTYLCARBAMOYL)-.GAMMA.-HYDROXY-N-((1S,2R)-2-HYDROXY-1-INDANYL)-4-(3-PYRIDYLMETHYL)-1-PIPERAZINEVALERAMIDE

Common Name

English

indinavir [INN]

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)-, (1(1S,2R),5(S))-

Common Name

English

Indinavir [WHO-DD]

Common Name

English

INDINAVIR [MI]

Common Name

English

Classification Tree Code System Code

NDF-RT

N0000175889

Created by admin on Fri Dec 15 16:03:37 UTC 2023 , Edited by admin on Fri Dec 15 16:03:37 UTC 2023

NCI_THESAURUS

C97366

Created by admin on Fri Dec 15 16:03:37 UTC 2023 , Edited by admin on Fri Dec 15 16:03:37 UTC 2023

WHO-ATC

J05AE02

Created by admin on Fri Dec 15 16:03:37 UTC 2023 , Edited by admin on Fri Dec 15 16:03:37 UTC 2023

NDF-RT

N0000000246

Created by admin on Fri Dec 15 16:03:37 UTC 2023 , Edited by admin on Fri Dec 15 16:03:37 UTC 2023

Code System Code Type Description

EVMPD

SUB08174MIG

Created by admin on Fri Dec 15 16:03:37 UTC 2023 , Edited by admin on Fri Dec 15 16:03:37 UTC 2023

PRIMARY

FDA UNII

9MG78X43ZT

Created by admin on Fri Dec 15 16:03:37 UTC 2023 , Edited by admin on Fri Dec 15 16:03:37 UTC 2023

PRIMARY

MERCK INDEX

m6253

Created by admin on Fri Dec 15 16:03:37 UTC 2023 , Edited by admin on Fri Dec 15 16:03:37 UTC 2023

PRIMARY

Merck Index

RXCUI

1546024

Created by admin on Fri Dec 15 16:03:37 UTC 2023 , Edited by admin on Fri Dec 15 16:03:37 UTC 2023

PRIMARY

RxNorm

DRUG BANK

DB00224

Created by admin on Fri Dec 15 16:03:37 UTC 2023 , Edited by admin on Fri Dec 15 16:03:37 UTC 2023

PRIMARY

DAILYMED

9MG78X43ZT

Created by admin on Fri Dec 15 16:03:37 UTC 2023 , Edited by admin on Fri Dec 15 16:03:37 UTC 2023

PRIMARY

PUBCHEM

5362440

Created by admin on Fri Dec 15 16:03:37 UTC 2023 , Edited by admin on Fri Dec 15 16:03:37 UTC 2023

PRIMARY

INN

7444

Created by admin on Fri Dec 15 16:03:37 UTC 2023 , Edited by admin on Fri Dec 15 16:03:37 UTC 2023

PRIMARY

EPA CompTox

DTXSID4043802

Created by admin on Fri Dec 15 16:03:37 UTC 2023 , Edited by admin on Fri Dec 15 16:03:37 UTC 2023

PRIMARY

CAS

150378-17-9

Created by admin on Fri Dec 15 16:03:37 UTC 2023 , Edited by admin on Fri Dec 15 16:03:37 UTC 2023

PRIMARY

NCI_THESAURUS

C74585

Created by admin on Fri Dec 15 16:03:37 UTC 2023 , Edited by admin on Fri Dec 15 16:03:37 UTC 2023

PRIMARY

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					9MG78X43ZT

INDINAVIR ANHYDROUS

EXCRETED UNCHANGED

Comments:

Follow a single 1000 mg dose

Interaction Type:

AMOUNT EXCRETED

Qualification:

URINE

Amount:


					9MG78X43ZT

INDINAVIR ANHYDROUS

EXCRETED UNCHANGED

Comments:

Follow a single 700 mg dose

Interaction Type:

AMOUNT EXCRETED

Qualification:

URINE

Amount:


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Interaction Type:

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2,3,5-TRIDEOXY-N-((1S,2S,3S)-2,3-DIHYDRO-2,3-DIHYDROXY-1H-INDEN-1-YL)-5-((2S)-2-(((1,1-DIMETHYLETHYL)AMINO)CARBONYL)-1-PIPERAZINYL)-2-(PHENYLMETHYL)-D-ERYTHRO-PENTONAMIDE

METABOLITE -> PARENT


					ZM60S42GJO

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

METABOLITE -> PARENT


					8SY2SAT2C9

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METABOLITE -> PARENT


					SGN48TA2NZ

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

METABOLITE -> PARENT


					9LH7LD8DBC

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

METABOLITE -> PARENT

Related Record Type Details


					9MG78X43ZT

INDINAVIR ANHYDROUS

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Tmax	PHARMACOKINETIC				FASTED STATE

Biological Half-life	PHARMACOKINETIC