ASUNAPREVIR

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C35H46ClN5O9S
Molecular Weight	748.286
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ASUNAPREVIR

Structure Search

SMILES

COC1=CN=C(O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C4CC4)C5=C1C=CC(Cl)=C5

InChI

InChIKey=XRWSZZJLZRKHHD-WVWIJVSJSA-N

InChI=1S/C35H46ClN5O9S/c1-9-19-16-35(19,31(44)40-51(46,47)22-11-12-22)39-28(42)25-15-21(49-29-24-14-20(36)10-13-23(24)26(48-8)17-37-29)18-41(25)30(43)27(33(2,3)4)38-32(45)50-34(5,6)7/h9-10,13-14,17,19,21-22,25,27H,1,11-12,15-16,18H2,2-8H3,(H,38,45)(H,39,42)(H,40,44)/t19-,21-,25+,27-,35-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C35H46ClN5O9S
Molecular Weight	748.286
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 22:10:28 UTC 2023` Edited by `admin` on `Fri Dec 15 22:10:28 UTC 2023`
Record UNII	S9X0KRJ00S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ASUNAPREVIR

Official Name

English

ASUNAPREVIR [JAN]

Common Name

English

BMS650032

Code

English

ASUNAPREVIR [MI]

Common Name

English

Asunaprevir [WHO-DD]

Common Name

English

BMS-650032

Code

English

ASUNAPREVIR [USAN]

Common Name

English

SUNVEPRA

Brand Name

English

TERT-BUTYL ((2S)-1-((2S,4R)-4-((7-CHLORO-4-METHOXYISOQUINOLIN-1-YL)OXY)-2-(((1R,2S)-1-((CYCLOPROPANESULFONYL)CARBAMOYL)-2-ETHENYLCYCLOPROPYL)CARBAMOYL)PYRROLIDIN-1-YL)-3,3-DIMETHYL-1-OXOBUTAN-2-YL)CARBAMATE

Common Name

English

asunaprevir [INN]

Common Name

English

CYCLOPROPANECARBOXAMIDE, N-((1,1-DIMETHYLETHOXY)CARBONYL)-3-METHYL-L-VALYL-(4R)-4-((7-CHLORO-4-METHOXY-1-ISOQUINOLINYL)OXY)-L-PROLYL-1-AMINO-N-(CYCLOPROPYLSULFONYL)-2-ETHENYL-, (1R,2S)-

Common Name

English

ASV

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C783

Created by admin on Fri Dec 15 22:10:28 UTC 2023 , Edited by admin on Fri Dec 15 22:10:28 UTC 2023

WHO-ATC

J05AP06

Created by admin on Fri Dec 15 22:10:28 UTC 2023 , Edited by admin on Fri Dec 15 22:10:28 UTC 2023

WHO-ATC

J05AE15

Created by admin on Fri Dec 15 22:10:28 UTC 2023 , Edited by admin on Fri Dec 15 22:10:28 UTC 2023

Code System Code Type Description

CAS

630420-16-5

Created by admin on Fri Dec 15 22:10:28 UTC 2023 , Edited by admin on Fri Dec 15 22:10:28 UTC 2023

PRIMARY

PUBCHEM

16076883

Created by admin on Fri Dec 15 22:10:28 UTC 2023 , Edited by admin on Fri Dec 15 22:10:28 UTC 2023

PRIMARY

DRUG BANK

DB11586

Created by admin on Fri Dec 15 22:10:28 UTC 2023 , Edited by admin on Fri Dec 15 22:10:28 UTC 2023

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FDA UNII

S9X0KRJ00S

Created by admin on Fri Dec 15 22:10:28 UTC 2023 , Edited by admin on Fri Dec 15 22:10:28 UTC 2023

PRIMARY

EVMPD

SUB124458

Created by admin on Fri Dec 15 22:10:28 UTC 2023 , Edited by admin on Fri Dec 15 22:10:28 UTC 2023

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ChEMBL

CHEMBL2105735

Created by admin on Fri Dec 15 22:10:28 UTC 2023 , Edited by admin on Fri Dec 15 22:10:28 UTC 2023

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NCI_THESAURUS

C114982

Created by admin on Fri Dec 15 22:10:28 UTC 2023 , Edited by admin on Fri Dec 15 22:10:28 UTC 2023

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EPA CompTox

DTXSID201026065

Created by admin on Fri Dec 15 22:10:28 UTC 2023 , Edited by admin on Fri Dec 15 22:10:28 UTC 2023

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MESH

C571889

Created by admin on Fri Dec 15 22:10:28 UTC 2023 , Edited by admin on Fri Dec 15 22:10:28 UTC 2023

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DRUG CENTRAL

4889

Created by admin on Fri Dec 15 22:10:28 UTC 2023 , Edited by admin on Fri Dec 15 22:10:28 UTC 2023

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WIKIPEDIA

ASUNAPREVIR

Created by admin on Fri Dec 15 22:10:28 UTC 2023 , Edited by admin on Fri Dec 15 22:10:28 UTC 2023

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MERCK INDEX

m11765

Created by admin on Fri Dec 15 22:10:28 UTC 2023 , Edited by admin on Fri Dec 15 22:10:28 UTC 2023

PRIMARY

USAN

XX-150

Created by admin on Fri Dec 15 22:10:28 UTC 2023 , Edited by admin on Fri Dec 15 22:10:28 UTC 2023

PRIMARY

INN

9472

Created by admin on Fri Dec 15 22:10:28 UTC 2023 , Edited by admin on Fri Dec 15 22:10:28 UTC 2023

PRIMARY

RXCUI

1652103

Created by admin on Fri Dec 15 22:10:28 UTC 2023 , Edited by admin on Fri Dec 15 22:10:28 UTC 2023

PRIMARY

RxNorm

SMS_ID

100000145687

Created by admin on Fri Dec 15 22:10:28 UTC 2023 , Edited by admin on Fri Dec 15 22:10:28 UTC 2023

PRIMARY

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