DIPERODON MONOHYDRATE

US Previously Marketed

Details

Stereochemistry	RACEMIC
Molecular Formula	C22H27N3O4.H2O
Molecular Weight	415.4828
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.O=C(NC1=CC=CC=C1)OCC(CN2CCCCC2)OC(=O)NC3=CC=CC=C3

InChI

InChIKey=DUEYECWLQOUBNL-UHFFFAOYSA-N

InChI=1S/C22H27N3O4.H2O/c26-21(23-18-10-4-1-5-11-18)28-17-20(16-25-14-8-3-9-15-25)29-22(27)24-19-12-6-2-7-13-19;/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,23,26)(H,24,27);1H2

HIDE SMILES / InChI

Molecular Formula	C22H27N3O4
Molecular Weight	397.4675
Charge	0
Count

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

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

Description
Sources: http://www.accessdata.fda.gov/scripts/cdrh/cfdocs/cfcfr/cfrsearch.cfm?fr=310.545
Curator's Comment: https://books.google.ru/books?id=GEXMBQAAQBAJ&pg=PA126&lpg=PA126&dq=diperodon+hemorrhoids&source=bl&ots=bCxlkt8R8h&sig=WdZ_xvaAZOgtxGZ2fAgci9gfLh0&hl=ru&sa=X&ved=0ahUKEwjT0uyqqpXMAhVHQZoKHb3YDBgQ6AEIHzAA#v=onepage&q=diperodon%20hemorrhoids&f=false https://www.ncbi.nlm.nih.gov/pubmed/12367714 https://books.google.ru/books?id=07g30rxCA0EC&pg=PA112&lpg=PA112&dq=diperodon+was+discovered&source=bl&ots=KjNHtaThll&sig=8zuZga1hLvXSs0x_oezYLJkx02M&hl=ru&sa=X&ved=0ahUKEwiOxbXetZXMAhXJDywKHeqwACAQ6AEIPjAF#v=onepage&q=diperodon%20was%20discovered&f=false

Diperodon is one of several phenylurethane derivatives of dialkyl amino alcohols which have demonstrated significant local anaesthetic activity.

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
sodium ion transmembrane transport 3 Target ID: GO:0035725 Sources: https://books.google.ru/books?id=8GHDCwAAQBAJ&pg=PT243&lpg=PT243&dq=diperodon+anesthetic+sunburn&source=bl&ots=805N1NA_D5&sig=syVrjXgxNUjofmUN_N0rswp1Ork&hl=ru&sa=X&ved=0ahUKEwjzjNrljanMAhUFMZoKHWqZBVUQ6AEIPTAE#v=onepage&q=diperodon%20anesthetic%20sunburn&f=false	Inhibitor 8297

Conditions

Condition	Modality	Targets	Highest Phase	Product
Pain and itch of sunburn, insect bites, scratches and other minor skin irritations 3 Sources: http://www.consultdrminas.com/drugenc/01_a/022.php	Primary		Approved 8429	Unknown Approved Use Unknown
Pain from hemorrhoids 3 Sources: (2011) Dorland's Illustrated Medical Dictionary E-Book, page 523, retrieved from: https://books.google.ru/books?id=mNACisYwbZoC	Primary		Approved 8429	Unknown Approved Use Unknown

Doses

Dose	Population	Adverse events
1 % multiple, topical Dose: 1 % Route: topical Route: multiple Dose: 1 % Sources: https://pubmed.ncbi.nlm.nih.gov/7418402/	unhealthy, 30 n = 1 Health Status: unhealthy Condition: psoriasis Age Group: 30 Sex: M Population Size: 1 Sources: https://pubmed.ncbi.nlm.nih.gov/7418402/	Other AEs: Allergy... Other AEs: Allergy Sources: https://pubmed.ncbi.nlm.nih.gov/7418402/

AEs

AE	Significance	Dose	Population
Allergy		1 % multiple, topical Dose: 1 % Route: topical Route: multiple Dose: 1 % Sources: https://pubmed.ncbi.nlm.nih.gov/7418402/	unhealthy, 30 n = 1 Health Status: unhealthy Condition: psoriasis Age Group: 30 Sex: M Population Size: 1 Sources: https://pubmed.ncbi.nlm.nih.gov/7418402/

Overview

CYP3A4	CYP2C9	CYP2D6	hERG

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer
Nav1.7 36

Drug as perpetrator

Target	Modality	Activity	Metabolite	Clinical evidence
Nav1.7 36	inhibitor 3277 Sources: https://www.cell.com/biophysj/comments/S0006-3495(16)33592-5	yes

Sourcing

Vendor/Aggregator	ID	URL
001 Chemical	DY501456	https://www.001chemical.com/chem/101-08-6
3B Scientific (Wuhan) Corp	3B2-1097	http://www.3bsc.com/index/pro_info.php?id=54813
AHH Chemical co.,ltd	MT-50443	http://www.ahhchemical.com/product/MT-50443.html
ChemMol	30105076	http://www.chemmol.com/chemmol/30105076.html
Finetech	FT-0750853	http://www.finetechnology-ind.com/prod/detail/pub/101-08-6.html
LGC Standards	LGCFOR3054.01	https://www.lgcstandards.com/US/en/p/LGCFOR3054.01
LGC Standards	MM3054.01	https://www.lgcstandards.com/US/en/p/MM3054.01
Molcore	MC501456	https://www.molcore.com/product/101-08-6
Smolecule	S581436	https://www.smolecule.com/products/s581436
THE BioTek	bt-369759	https://www.thebiotek.com/product/others/bt-369759
mcule	MCULE-2970996429	https://mcule.com/MCULE-2970996429/

PubMed

Title	Date	PubMed

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:22:16 GMT 2023` Edited by `admin` on `Fri Dec 15 15:22:16 GMT 2023`
Record UNII	2456GO94TR
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

DIPERODON MONOHYDRATE

Common Name

English

3-PIPERIDINO-1,2-PROPANEDIOL DICARBANILATE (ESTER) MONOHYDRATE

Common Name

English

1,2-PROPANEDIOL, 3-(1-PIPERIDINYL)-, BIS(PHENYLCARBAMATE) (ESTER), MONOHYDRATE

Common Name

English

Code System Code Type Description

ChEMBL

CHEMBL338667