SETROBUVIR

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H25FN4O6S2
Molecular Weight	560.618
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SETROBUVIR

Structure Search

SMILES

[H][C@]12[C@@H]3CC[C@@H](C3)[C@@]1([H])C(O)=C(C(=O)N2CC4=CC=C(F)C=C4)C5=NS(=O)(=O)C6=CC(NS(C)(=O)=O)=CC=C6N5

InChI

InChIKey=DEKOYVOWOVJMPM-RLHIPHHXSA-N

InChI=1S/C25H25FN4O6S2/c1-37(33,34)28-17-8-9-18-19(11-17)38(35,36)29-24(27-18)21-23(31)20-14-4-5-15(10-14)22(20)30(25(21)32)12-13-2-6-16(26)7-3-13/h2-3,6-9,11,14-15,20,22,28,31H,4-5,10,12H2,1H3,(H,27,29)/t14-,15+,20+,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H25FN4O6S2
Molecular Weight	560.618
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 20:15:49 UTC 2023` Edited by `admin` on `Fri Dec 15 20:15:49 UTC 2023`
Record UNII	T5B2GI8F84
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SETROBUVIR

Official Name

English

METHANESULFONAMIDE, N-(3-((4AR,5S,8R,8AS)-1,2,4A,5,6,7,8,8A-OCTAHYDRO-4-HYDROXY-2-OXO-5,8-METHANOQUINOLIN-3-YL)-1,1-DIOXIDO-2H-1,2,4-BENZOTHIADIAZIN-7-YL)-

Systematic Name

English

RO-5466731

Code

English

ANA598

Code

English

SETROBUVIR [USAN]

Common Name

English

ANA-598

Code

English

Setrobuvir [WHO-DD]

Common Name

English

setrobuvir [INN]

Common Name

English

RO5466731

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C281

Created by admin on Fri Dec 15 20:15:49 UTC 2023 , Edited by admin on Fri Dec 15 20:15:49 UTC 2023

Code System Code Type Description

WIKIPEDIA

SETROBUVIR

Created by admin on Fri Dec 15 20:15:49 UTC 2023 , Edited by admin on Fri Dec 15 20:15:49 UTC 2023

PRIMARY

CAS

1071517-39-9

Created by admin on Fri Dec 15 20:15:49 UTC 2023 , Edited by admin on Fri Dec 15 20:15:49 UTC 2023

PRIMARY

USAN

YY-30

Created by admin on Fri Dec 15 20:15:49 UTC 2023 , Edited by admin on Fri Dec 15 20:15:49 UTC 2023

PRIMARY

FDA UNII

T5B2GI8F84

Created by admin on Fri Dec 15 20:15:49 UTC 2023 , Edited by admin on Fri Dec 15 20:15:49 UTC 2023

PRIMARY

DRUG BANK

DB12051

Created by admin on Fri Dec 15 20:15:49 UTC 2023 , Edited by admin on Fri Dec 15 20:15:49 UTC 2023

PRIMARY

SMS_ID

300000034395

Created by admin on Fri Dec 15 20:15:49 UTC 2023 , Edited by admin on Fri Dec 15 20:15:49 UTC 2023

PRIMARY

PUBCHEM

135565932

Created by admin on Fri Dec 15 20:15:49 UTC 2023 , Edited by admin on Fri Dec 15 20:15:49 UTC 2023

PRIMARY

ChEMBL

CHEMBL1076263

Created by admin on Fri Dec 15 20:15:49 UTC 2023 , Edited by admin on Fri Dec 15 20:15:49 UTC 2023

PRIMARY

INN

9524

Created by admin on Fri Dec 15 20:15:49 UTC 2023 , Edited by admin on Fri Dec 15 20:15:49 UTC 2023

PRIMARY

EPA CompTox

DTXSID301029850

Created by admin on Fri Dec 15 20:15:49 UTC 2023 , Edited by admin on Fri Dec 15 20:15:49 UTC 2023

PRIMARY

NCI_THESAURUS

C152351

Created by admin on Fri Dec 15 20:15:49 UTC 2023 , Edited by admin on Fri Dec 15 20:15:49 UTC 2023

PRIMARY

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