XENTHIORATE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C22H29NOS
Molecular Weight	355.537
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of XENTHIORATE

Structure Search

SMILES

CCC(C(=O)SCCN(CC)CC)C1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChIKey=PFNLUFYAGHJNKJ-UHFFFAOYSA-N

InChI=1S/C22H29NOS/c1-4-21(22(24)25-17-16-23(5-2)6-3)20-14-12-19(13-15-20)18-10-8-7-9-11-18/h7-15,21H,4-6,16-17H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C22H29NOS
Molecular Weight	355.537
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Description
Sources: Ganellin C.R., Triggle David J., Dictionary of Pharmacological Agents, p. 585, retrieved from:https://books.google.ru/books?id=Z_mfTTIApVEC&pg=PA584&lpg=PA584&dq=XENTHIORATE&source=bl&ots=EtGIIrRIB_&sig=ACfU3U3nwBV3ZV9tWmRrHDjS6TeEDPgwhg&hl=ru&sa=X&ved=2ahUKEwi1ooKB8LLjAhXzwcQBHddfC3Q4FBDoATAEegQIBxAB#v=onepage&q=XENTHIORATE&f=false

Xenthiorate was studied as an antihyperlipidemic agent. Information about the current use of this agent is not available.

Approval Year

Targets

Targets

Primary Target	Pharmacology	Condition	Potency
cholesterol metabolic process 6 Target ID: GO:0008203 Sources: https://books.google.ru/books?id=0vXTBwAAQBAJ&pg=PA1292&dq=xenthiorate retrieved from The Dictionary of Drugs: Chemical Data: Chemical Data, Structures and Bibliographies. J. Elks.p.1292	Modulator 828

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:58:09 GMT 2023` Edited by `admin` on `Fri Dec 15 15:58:09 GMT 2023`
Record UNII	0PM0Q96HVS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

XENTHIORATE

Official Name

English

xenthiorate [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29703

Created by admin on Fri Dec 15 15:58:09 GMT 2023 , Edited by admin on Fri Dec 15 15:58:09 GMT 2023

Code System Code Type Description

CAS

7009-79-2

Created by admin on Fri Dec 15 15:58:09 GMT 2023 , Edited by admin on Fri Dec 15 15:58:09 GMT 2023

PRIMARY

INN

1009

Created by admin on Fri Dec 15 15:58:09 GMT 2023 , Edited by admin on Fri Dec 15 15:58:09 GMT 2023

PRIMARY

ChEMBL

CHEMBL2106490

Created by admin on Fri Dec 15 15:58:09 GMT 2023 , Edited by admin on Fri Dec 15 15:58:09 GMT 2023

PRIMARY

FDA UNII

0PM0Q96HVS

Created by admin on Fri Dec 15 15:58:09 GMT 2023 , Edited by admin on Fri Dec 15 15:58:09 GMT 2023

PRIMARY

PUBCHEM

6445348

Created by admin on Fri Dec 15 15:58:09 GMT 2023 , Edited by admin on Fri Dec 15 15:58:09 GMT 2023

PRIMARY

EVMPD

SUB00105MIG

Created by admin on Fri Dec 15 15:58:09 GMT 2023 , Edited by admin on Fri Dec 15 15:58:09 GMT 2023

PRIMARY

SMS_ID

100000079374

Created by admin on Fri Dec 15 15:58:09 GMT 2023 , Edited by admin on Fri Dec 15 15:58:09 GMT 2023

PRIMARY

NCI_THESAURUS

C66665

Created by admin on Fri Dec 15 15:58:09 GMT 2023 , Edited by admin on Fri Dec 15 15:58:09 GMT 2023

PRIMARY

EPA CompTox

DTXSID60863991

Created by admin on Fri Dec 15 15:58:09 GMT 2023 , Edited by admin on Fri Dec 15 15:58:09 GMT 2023

PRIMARY

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XENTHIORATE HYDROCHLORIDE

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XENTHIORATE, (S)-

ENANTIOMER -> RACEMATE


					0M64B1IZ9Y

XENTHIORATE, (R)-

ENANTIOMER -> RACEMATE

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					0PM0Q96HVS

ACTIVE MOIETY