ELSIBUCOL

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C35H54O4S2
Molecular Weight	602.931
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ELSIBUCOL

Structure Search

SMILES

CC(C)(C)C1=CC(SC(C)(C)SC2=CC(=C(OCCCC(O)=O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C

InChI

InChIKey=YHFUPQNXMNMQAK-UHFFFAOYSA-N

InChI=1S/C35H54O4S2/c1-31(2,3)24-18-22(19-25(29(24)38)32(4,5)6)40-35(13,14)41-23-20-26(33(7,8)9)30(27(21-23)34(10,11)12)39-17-15-16-28(36)37/h18-21,38H,15-17H2,1-14H3,(H,36,37)

HIDE SMILES / InChI

Molecular Formula	C35H54O4S2
Molecular Weight	602.931
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:37:10 UTC 2023` Edited by `admin` on `Fri Dec 15 15:37:10 UTC 2023`
Record UNII	O7T92N1Y8T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ELSIBUCOL

Official Name

English

ELSIBUCOL [USAN]

Common Name

English

4-[4-[[1-[[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]sulfanyl]-1-methylethyl]sulfanyl]-2,6-bis(1,1-dimethylethyl)phenoxy]butanoic acid

Systematic Name

English

AGI-1096

Code

English

BUTANOIC ACID, 4-(4-((1-((3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXYPHENYL)THIO)-1-METHYLETHYL)THIO)-2,6-BIS(1,1-DIMETHYLETHYL)PHENOXY)-

Common Name

English

elsibucol [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C275

Created by admin on Fri Dec 15 15:37:10 UTC 2023 , Edited by admin on Fri Dec 15 15:37:10 UTC 2023

NCI_THESAURUS

C257

Created by admin on Fri Dec 15 15:37:10 UTC 2023 , Edited by admin on Fri Dec 15 15:37:10 UTC 2023

Code System Code Type Description

INN

8581

Created by admin on Fri Dec 15 15:37:10 UTC 2023 , Edited by admin on Fri Dec 15 15:37:10 UTC 2023

PRIMARY

EPA CompTox

DTXSID30176005

Created by admin on Fri Dec 15 15:37:10 UTC 2023 , Edited by admin on Fri Dec 15 15:37:10 UTC 2023

PRIMARY

FDA UNII

O7T92N1Y8T

Created by admin on Fri Dec 15 15:37:10 UTC 2023 , Edited by admin on Fri Dec 15 15:37:10 UTC 2023

PRIMARY

SMS_ID

300000034204

Created by admin on Fri Dec 15 15:37:10 UTC 2023 , Edited by admin on Fri Dec 15 15:37:10 UTC 2023

PRIMARY

ChEMBL

CHEMBL2107336

Created by admin on Fri Dec 15 15:37:10 UTC 2023 , Edited by admin on Fri Dec 15 15:37:10 UTC 2023

PRIMARY

NCI_THESAURUS

C72754

Created by admin on Fri Dec 15 15:37:10 UTC 2023 , Edited by admin on Fri Dec 15 15:37:10 UTC 2023

PRIMARY

USAN

QQ-03

Created by admin on Fri Dec 15 15:37:10 UTC 2023 , Edited by admin on Fri Dec 15 15:37:10 UTC 2023

PRIMARY

PUBCHEM

10218732

Created by admin on Fri Dec 15 15:37:10 UTC 2023 , Edited by admin on Fri Dec 15 15:37:10 UTC 2023

PRIMARY

CAS

216167-95-2

Created by admin on Fri Dec 15 15:37:10 UTC 2023 , Edited by admin on Fri Dec 15 15:37:10 UTC 2023

PRIMARY

DRUG BANK

DB05840

Created by admin on Fri Dec 15 15:37:10 UTC 2023 , Edited by admin on Fri Dec 15 15:37:10 UTC 2023

PRIMARY

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