BECLABUVIR

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H45N5O5S
Molecular Weight	659.838
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BECLABUVIR

Structure Search

SMILES

COC1=CC2=C(C=C1)C3=C(C4CCCCC4)C5=C(C=C(C=C5)C(=O)NS(=O)(=O)N(C)C)N3C[C@]6(C[C@@H]26)C(=O)N7[C@H]8CC[C@@H]7CN(C)C8

InChI

InChIKey=ZTTKEBYSXUCBSE-QDFUAKMASA-N

InChI=1S/C36H45N5O5S/c1-38(2)47(44,45)37-34(42)23-10-14-28-31(16-23)40-21-36(35(43)41-24-11-12-25(41)20-39(3)19-24)18-30(36)29-17-26(46-4)13-15-27(29)33(40)32(28)22-8-6-5-7-9-22/h10,13-17,22,24-25,30H,5-9,11-12,18-21H2,1-4H3,(H,37,42)/t24-,25+,30-,36-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C36H45N5O5S
Molecular Weight	659.838
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 `Sat Dec 16 05:57:55 UTC 2023` Edited by `admin` on `Sat Dec 16 05:57:55 UTC 2023`
Record UNII	MYW1X5CO9S
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BECLABUVIR

Official Name

English

BMS-791325

Code

English

(4bS,5aR)-12-Cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-5a-[(3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl)carbonyl]-4b,5,5a,6-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-9-carboxamide

Systematic Name

English

CYCLOPROP(D)INDOLO(2,1-A)(2)BENZAZEPINE-9-CARBOXAMIDE, 12-CYCLOHEXYL-N-((DIMETHYLAMINO)SULFONYL)-4B,5,5A,6-TETRAHYDRO-3-METHOXY-5A-((3-METHYL-3,8-DIAZABICYCLO(3.2.1)OCT-8-YL)CARBONYL)-, (4BS,5AR)-

Systematic Name

English

BECLABUVIR [USAN]

Common Name

English

Beclabuvir [WHO-DD]

Common Name

English

beclabuvir [INN]

Common Name

English

BECLABUVIR [MI]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C783

Created by admin on Sat Dec 16 05:57:55 UTC 2023 , Edited by admin on Sat Dec 16 05:57:55 UTC 2023

Code System Code Type Description

EPA CompTox

DTXSID701026084

Created by admin on Sat Dec 16 05:57:55 UTC 2023 , Edited by admin on Sat Dec 16 05:57:55 UTC 2023

PRIMARY

DRUG CENTRAL

5215

Created by admin on Sat Dec 16 05:57:55 UTC 2023 , Edited by admin on Sat Dec 16 05:57:55 UTC 2023

PRIMARY

PUBCHEM

56934415

Created by admin on Sat Dec 16 05:57:55 UTC 2023 , Edited by admin on Sat Dec 16 05:57:55 UTC 2023

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FDA UNII

MYW1X5CO9S

Created by admin on Sat Dec 16 05:57:55 UTC 2023 , Edited by admin on Sat Dec 16 05:57:55 UTC 2023

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WIKIPEDIA

Beclabuvir

Created by admin on Sat Dec 16 05:57:55 UTC 2023 , Edited by admin on Sat Dec 16 05:57:55 UTC 2023

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MERCK INDEX

m11998

Created by admin on Sat Dec 16 05:57:55 UTC 2023 , Edited by admin on Sat Dec 16 05:57:55 UTC 2023

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INN

9899

Created by admin on Sat Dec 16 05:57:55 UTC 2023 , Edited by admin on Sat Dec 16 05:57:55 UTC 2023

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SMS_ID

100000175097

Created by admin on Sat Dec 16 05:57:55 UTC 2023 , Edited by admin on Sat Dec 16 05:57:55 UTC 2023

PRIMARY

ChEMBL

CHEMBL3126842

Created by admin on Sat Dec 16 05:57:55 UTC 2023 , Edited by admin on Sat Dec 16 05:57:55 UTC 2023

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DRUG BANK

DB12225

Created by admin on Sat Dec 16 05:57:55 UTC 2023 , Edited by admin on Sat Dec 16 05:57:55 UTC 2023

PRIMARY

CAS

958002-33-0

Created by admin on Sat Dec 16 05:57:55 UTC 2023 , Edited by admin on Sat Dec 16 05:57:55 UTC 2023

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USAN

AB-68

Created by admin on Sat Dec 16 05:57:55 UTC 2023 , Edited by admin on Sat Dec 16 05:57:55 UTC 2023

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NCI_THESAURUS

C114983

Created by admin on Sat Dec 16 05:57:55 UTC 2023 , Edited by admin on Sat Dec 16 05:57:55 UTC 2023

PRIMARY

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