BUDIODARONE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H31I2NO5
Molecular Weight	703.3477
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BUDIODARONE

Structure Search

SMILES

CC[C@H](C)OC(=O)CC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C3=C(O1)C=CC=C3

InChI

InChIKey=ZXOSVKYCXLTVGS-KRWDZBQOSA-N

InChI=1S/C27H31I2NO5/c1-5-17(4)34-24(31)16-23-25(19-10-8-9-11-22(19)35-23)26(32)18-14-20(28)27(21(29)15-18)33-13-12-30(6-2)7-3/h8-11,14-15,17H,5-7,12-13,16H2,1-4H3/t17-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H31I2NO5
Molecular Weight	703.3477
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:06:10 UTC 2023` Edited by `admin` on `Fri Dec 15 16:06:10 UTC 2023`
Record UNII	F5Y53150C8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BUDIODARONE

Official Name

English

(1S)-1-Methylpropyl 2-(3-{4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl}benzofuran-2-yl)acetate

Systematic Name

English

BUDIODARONE [USAN]

Common Name

English

2-BENZOFURANACETIC ACID, 3-(4-(2-(DIETHYLAMINO)ETHOXY)-3,5-DIIODOBENZOYL)-, (1S)-1-METHYLPROPYL ESTER

Common Name

English

Budiodarone [WHO-DD]

Common Name

English

budiodarone [INN]

Common Name

English

ATI-2042

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C47793

Created by admin on Fri Dec 15 16:06:11 UTC 2023 , Edited by admin on Fri Dec 15 16:06:11 UTC 2023

Code System Code Type Description

DRUG BANK

DB05519

Created by admin on Fri Dec 15 16:06:11 UTC 2023 , Edited by admin on Fri Dec 15 16:06:11 UTC 2023

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USAN

UU-117

Created by admin on Fri Dec 15 16:06:11 UTC 2023 , Edited by admin on Fri Dec 15 16:06:11 UTC 2023

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WIKIPEDIA

Budiodarone

Created by admin on Fri Dec 15 16:06:11 UTC 2023 , Edited by admin on Fri Dec 15 16:06:11 UTC 2023

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CAS

335148-45-3

Created by admin on Fri Dec 15 16:06:11 UTC 2023 , Edited by admin on Fri Dec 15 16:06:11 UTC 2023

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EPA CompTox

DTXSID301030142

Created by admin on Fri Dec 15 16:06:11 UTC 2023 , Edited by admin on Fri Dec 15 16:06:11 UTC 2023

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PUBCHEM

9833332

Created by admin on Fri Dec 15 16:06:11 UTC 2023 , Edited by admin on Fri Dec 15 16:06:11 UTC 2023

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SMS_ID

300000034145

Created by admin on Fri Dec 15 16:06:11 UTC 2023 , Edited by admin on Fri Dec 15 16:06:11 UTC 2023

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FDA UNII

F5Y53150C8

Created by admin on Fri Dec 15 16:06:11 UTC 2023 , Edited by admin on Fri Dec 15 16:06:11 UTC 2023

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NCI_THESAURUS

C83563

Created by admin on Fri Dec 15 16:06:11 UTC 2023 , Edited by admin on Fri Dec 15 16:06:11 UTC 2023

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ChEMBL

CHEMBL2105631

Created by admin on Fri Dec 15 16:06:11 UTC 2023 , Edited by admin on Fri Dec 15 16:06:11 UTC 2023

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INN

9143

Created by admin on Fri Dec 15 16:06:11 UTC 2023 , Edited by admin on Fri Dec 15 16:06:11 UTC 2023

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Related Record Type Details


					3HV5H0W9GM

BUDIODARONE TARTRATE

SALT/SOLVATE -> PARENT

Related Record Type Details


					F5Y53150C8

ACTIVE MOIETY