FALDAPREVIR

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H49BrN6O9S
Molecular Weight	869.821
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of FALDAPREVIR

Structure Search

SMILES

[H][C@]1(C[C@]1(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC3CCCC3)C(C)(C)C)OC4=C5C=CC(OC)=C(Br)C5=NC(=C4)C6=CSC(NC(=O)C(C)C)=N6)C(O)=O)C=C

InChI

InChIKey=LLGDPTDZOVKFDU-XUHJSTDZSA-N

InChI=1S/C40H49BrN6O9S/c1-8-21-17-40(21,36(51)52)46-34(49)27-15-23(18-47(27)35(50)32(39(4,5)6)44-38(53)56-22-11-9-10-12-22)55-29-16-25(26-19-57-37(43-26)45-33(48)20(2)3)42-31-24(29)13-14-28(54-7)30(31)41/h8,13-14,16,19-23,27,32H,1,9-12,15,17-18H2,2-7H3,(H,44,53)(H,46,49)(H,51,52)(H,43,45,48)/t21-,23-,27+,32-,40-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C40H49BrN6O9S
Molecular Weight	869.821
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 `Sat Dec 16 16:05:41 UTC 2023` Edited by `admin` on `Sat Dec 16 16:05:41 UTC 2023`
Record UNII	958X4J301A
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

FALDAPREVIR

Official Name

English

faldaprevir [INN]

Common Name

English

BI-201335

Code

English

BI201335

Code

English

FALDAPREVIR [USAN]

Common Name

English

Faldaprevir [WHO-DD]

Common Name

English

(1R,2S)-1-((2S,4R)-4-((8-BROMO-7-METHOXY-2-(2-(2-METHYLPROPANAMIDO)-1,3-THIAZOL-4-YL)QUINOLIN-4-YL)OXY)-1-((2S)-2-(((CYCLOPENTYLOXY)CARBONYL)AMINO)-3,3-DIMETHYLBUTANOYL)PYRROLIDINE-2-CARBOXAMIDO)-2-ETHENYLCYCLOPROPANE-1-CARBOXYLIC ACID

Common Name

English

Classification Tree Code System Code

WHO-ATC

J05AP04

Created by admin on Sat Dec 16 16:05:41 UTC 2023 , Edited by admin on Sat Dec 16 16:05:41 UTC 2023

WHO-ATC

J05AE13

Created by admin on Sat Dec 16 16:05:41 UTC 2023 , Edited by admin on Sat Dec 16 16:05:41 UTC 2023

Code System Code Type Description

DRUG BANK

DB11808

Created by admin on Sat Dec 16 16:05:41 UTC 2023 , Edited by admin on Sat Dec 16 16:05:41 UTC 2023

PRIMARY

INN

9497

Created by admin on Sat Dec 16 16:05:41 UTC 2023 , Edited by admin on Sat Dec 16 16:05:41 UTC 2023

PRIMARY

SMS_ID

100000144871

Created by admin on Sat Dec 16 16:05:41 UTC 2023 , Edited by admin on Sat Dec 16 16:05:41 UTC 2023

PRIMARY

FDA UNII

958X4J301A

Created by admin on Sat Dec 16 16:05:41 UTC 2023 , Edited by admin on Sat Dec 16 16:05:41 UTC 2023

PRIMARY

ChEMBL

CHEMBL1241348

Created by admin on Sat Dec 16 16:05:41 UTC 2023 , Edited by admin on Sat Dec 16 16:05:41 UTC 2023

PRIMARY

WIKIPEDIA

Faldaprevir

Created by admin on Sat Dec 16 16:05:41 UTC 2023 , Edited by admin on Sat Dec 16 16:05:41 UTC 2023

PRIMARY

NCI_THESAURUS

C171746

Created by admin on Sat Dec 16 16:05:41 UTC 2023 , Edited by admin on Sat Dec 16 16:05:41 UTC 2023

PRIMARY

PUBCHEM

42601552

Created by admin on Sat Dec 16 16:05:41 UTC 2023 , Edited by admin on Sat Dec 16 16:05:41 UTC 2023

PRIMARY

EPA CompTox

DTXSID20230084

Created by admin on Sat Dec 16 16:05:41 UTC 2023 , Edited by admin on Sat Dec 16 16:05:41 UTC 2023

PRIMARY

CAS

801283-95-4

Created by admin on Sat Dec 16 16:05:41 UTC 2023 , Edited by admin on Sat Dec 16 16:05:41 UTC 2023

PRIMARY

EVMPD

SUB121692

Created by admin on Sat Dec 16 16:05:41 UTC 2023 , Edited by admin on Sat Dec 16 16:05:41 UTC 2023

PRIMARY

USAN

AB-19

Created by admin on Sat Dec 16 16:05:41 UTC 2023 , Edited by admin on Sat Dec 16 16:05:41 UTC 2023

PRIMARY

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