HEXACYPRONE

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C16H20O3
Molecular Weight	260.3282
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of HEXACYPRONE

Structure Search

SMILES

OC(=O)CCC2(CC1=CC=CC=C1)CCCCC2=O

InChI

InChIKey=QQWBGHWKTDIMCX-UHFFFAOYSA-N

InChI=1S/C16H20O3/c17-14-8-4-5-10-16(14,11-9-15(18)19)12-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2,(H,18,19)

HIDE SMILES / InChI

Molecular Formula	C16H20O3
Molecular Weight	260.3282
Charge	0
Count

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

Description
Sources: https://books.google.ru/books?id=0vXTBwAAQBAJ&pg=PA143&lpg=PA143&dq=HEXACYPRONE&source=bl&ots=6JTmt4VCss&sig=ACfU3U3lINIcFbeBRqhWjhrdJRwpwauzbA&hl=ru&sa=X&ved=2ahUKEwi4yLi-x7LiAhWj-ioKHdetCHU4ChDoATAFegQIBhAB#v=onepage&q=HEXACYPRONE&f=false

Hexacyprone has been used as a choleretic agent. Information about the current use of this compound is not available.

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:52:38 GMT 2023` Edited by `admin` on `Fri Dec 15 16:52:38 GMT 2023`
Record UNII	H1D0U7HRCG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HEXACYPRONE

Official Name

English

hexacyprone [INN]

Common Name

English

1-BENZYL-2-OXO-CYCLOHEXANEPROPIONIC ACID

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C66913

Created by admin on Fri Dec 15 16:52:38 GMT 2023 , Edited by admin on Fri Dec 15 16:52:38 GMT 2023

Code System Code Type Description

EPA CompTox

DTXSID80862461

Created by admin on Fri Dec 15 16:52:38 GMT 2023 , Edited by admin on Fri Dec 15 16:52:38 GMT 2023

PRIMARY

INN

2204

Created by admin on Fri Dec 15 16:52:38 GMT 2023 , Edited by admin on Fri Dec 15 16:52:38 GMT 2023

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PUBCHEM

68941

Created by admin on Fri Dec 15 16:52:38 GMT 2023 , Edited by admin on Fri Dec 15 16:52:38 GMT 2023

PRIMARY

ChEMBL

CHEMBL2104368

Created by admin on Fri Dec 15 16:52:38 GMT 2023 , Edited by admin on Fri Dec 15 16:52:38 GMT 2023

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EVMPD

SUB08024MIG

Created by admin on Fri Dec 15 16:52:38 GMT 2023 , Edited by admin on Fri Dec 15 16:52:38 GMT 2023

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CAS

892-01-3

Created by admin on Fri Dec 15 16:52:38 GMT 2023 , Edited by admin on Fri Dec 15 16:52:38 GMT 2023

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NCI_THESAURUS

C83748

Created by admin on Fri Dec 15 16:52:38 GMT 2023 , Edited by admin on Fri Dec 15 16:52:38 GMT 2023

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SMS_ID

100000083953

Created by admin on Fri Dec 15 16:52:38 GMT 2023 , Edited by admin on Fri Dec 15 16:52:38 GMT 2023

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FDA UNII

H1D0U7HRCG

Created by admin on Fri Dec 15 16:52:38 GMT 2023 , Edited by admin on Fri Dec 15 16:52:38 GMT 2023

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					H1D0U7HRCG

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