GRAZOPREVIR

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C38H50N6O9S.H2O
Molecular Weight	784.919
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of GRAZOPREVIR

Structure Search

SMILES

O.[H][C@@]12C[C@@]1([H])OC(=O)N[C@H](C(=O)N3C[C@@]([H])(C[C@H]3C(=O)N[C@@]4(C[C@@]4([H])C=C)C(=O)NS(=O)(=O)C5CC5)OC6=NC7=CC(OC)=CC=C7N=C6CCCCC2)C(C)(C)C

InChI

InChIKey=RXSARIJMSJWJLZ-CIAYNJNFSA-N

InChI=1S/C38H50N6O9S.H2O/c1-6-22-19-38(22,35(47)43-54(49,50)25-13-14-25)42-32(45)29-18-24-20-44(29)34(46)31(37(2,3)4)41-36(48)53-30-16-21(30)10-8-7-9-11-27-33(52-24)40-28-17-23(51-5)12-15-26(28)39-27;/h6,12,15,17,21-22,24-25,29-31H,1,7-11,13-14,16,18-20H2,2-5H3,(H,41,48)(H,42,45)(H,43,47);1H2/t21-,22-,24-,29+,30-,31-,38-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C38H50N6O9S
Molecular Weight	766.903
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
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 `Sat Dec 16 08:37:10 UTC 2023` Edited by `admin` on `Sat Dec 16 08:37:10 UTC 2023`
Record UNII	4O2AB118LA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GRAZOPREVIR

Official Name

English

GRAZOPREVIR HYDRATE

Common Name

English

GRAZOPREVIR [ORANGE BOOK]

Common Name

English

GRAZOPREVIR MONOHYDRATE

Common Name

English

GRAZOPREVIR HYDRATE [JAN]

Common Name

English

GRAZOPREVIR [USAN]

Common Name

English

Grazoprevir monohydrate [WHO-DD]

Common Name

English

MK-5172 MONOHYDRATE

Code

English

CYCLOPROPANECARBOXAMIDE, N-((((1R,2R)-2-(5-(3-HYDROXY-6-METHOXY-2-QUINOXALINYL)PENTYL)CYCLOPROPYL)OXY)CARBONYL)-3-METHYL-L-VALYL-(4R)-4-HYDROXY-L-PROLYL-1-AMINO-N-(CYCLOPROPYLSULFONYL)-2-ETHENYL-, CYCLIC (1->2)-ETHER, HYDRATE (1:1), (1R,2S)-

Systematic Name

English

GRAZOPREVIR HYDRATE [MI]

Common Name

English

Classification Tree Code System Code

WHO-ATC

J05AP54

Created by admin on Sat Dec 16 08:37:10 UTC 2023 , Edited by admin on Sat Dec 16 08:37:10 UTC 2023

Code System Code Type Description

DRUG CENTRAL

5081

Created by admin on Sat Dec 16 08:37:10 UTC 2023 , Edited by admin on Sat Dec 16 08:37:10 UTC 2023

PRIMARY

CAS

1350462-55-3

Created by admin on Sat Dec 16 08:37:10 UTC 2023 , Edited by admin on Sat Dec 16 08:37:10 UTC 2023

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ChEMBL

CHEMBL2063090

Created by admin on Sat Dec 16 08:37:10 UTC 2023 , Edited by admin on Sat Dec 16 08:37:10 UTC 2023

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LACTMED

Grazoprevir

Created by admin on Sat Dec 16 08:37:10 UTC 2023 , Edited by admin on Sat Dec 16 08:37:10 UTC 2023

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EPA CompTox

DTXSID00159229

Created by admin on Sat Dec 16 08:37:10 UTC 2023 , Edited by admin on Sat Dec 16 08:37:10 UTC 2023

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WIKIPEDIA

Grazoprevir

Created by admin on Sat Dec 16 08:37:10 UTC 2023 , Edited by admin on Sat Dec 16 08:37:10 UTC 2023

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SMS_ID

100000166286

Created by admin on Sat Dec 16 08:37:10 UTC 2023 , Edited by admin on Sat Dec 16 08:37:10 UTC 2023

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NCI_THESAURUS

C166768

Created by admin on Sat Dec 16 08:37:10 UTC 2023 , Edited by admin on Sat Dec 16 08:37:10 UTC 2023

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FDA UNII

4O2AB118LA

Created by admin on Sat Dec 16 08:37:10 UTC 2023 , Edited by admin on Sat Dec 16 08:37:10 UTC 2023

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USAN

AB-59

Created by admin on Sat Dec 16 08:37:10 UTC 2023 , Edited by admin on Sat Dec 16 08:37:10 UTC 2023

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EVMPD

SUB180368

Created by admin on Sat Dec 16 08:37:10 UTC 2023 , Edited by admin on Sat Dec 16 08:37:10 UTC 2023

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RXCUI

1734630

Created by admin on Sat Dec 16 08:37:10 UTC 2023 , Edited by admin on Sat Dec 16 08:37:10 UTC 2023

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DRUG BANK

DB11575

Created by admin on Sat Dec 16 08:37:10 UTC 2023 , Edited by admin on Sat Dec 16 08:37:10 UTC 2023

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PUBCHEM

71576667

Created by admin on Sat Dec 16 08:37:10 UTC 2023 , Edited by admin on Sat Dec 16 08:37:10 UTC 2023

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CHEBI

132975

Created by admin on Sat Dec 16 08:37:10 UTC 2023 , Edited by admin on Sat Dec 16 08:37:10 UTC 2023

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MERCK INDEX

m11947

Created by admin on Sat Dec 16 08:37:10 UTC 2023 , Edited by admin on Sat Dec 16 08:37:10 UTC 2023

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