Octenidine

HCID 51167CAS 71251-02-0
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Basic information

Standard SMILES
CCCCCCCCN=c1ccn(CCCCCCCCCCn2ccc(=NCCCCCCCC)cc2)cc1
InChIKey
ZVXNYZWXUADSRV-UHFFFAOYSA-N
Molecular formula
C36H62N4
Average molar mass
550.9 g/mol
Monoisotopic mass
550.49744798

Overview

Octenidine is a dihydropyridine.

Names & identifiers

Preferred name
Octenidine
IUPAC
N-octyl-1-[10-(4-octylimino-1-pyridinyl)decyl]pyridin-4-imine
English name
Octenidine
Molecular formula
C36H62N4
Molecular weight
550.9

Names & synonyms

OCTENIDINE71251-02-0OctenidinaOctenidinumOZE0372S5ADTXSID70221427N-(1-{10-[4-(octylimino)-1,4-dihydropyridin-1-yl]decyl}-1,4-dihydropyridin-4-ylidene)octan-1-amineN-(1-(10-(4-(octylimino)-1,4-dihydropyridin-1-yl)decyl)-1,4-dihydropyridin-4-ylidene)octan-1-amineRefChem:167846DTXCID701439181-Octanamine, N,N'-(1,10-decanediyldi-1(4H)-pyridinyl-4-ylidene)bis-CHEBI:135826
Show more names
NeoKodanWin-41464-yl-4(1H)OcteniseptOctenidermWin-41464-2bis(pyridin-1(1H)bis(octan-1-amine)Octenidine USP/EP/BP
Octenidine (INN)N-octyl-1-[10-(4-octyliminopyridin-1-yl)decyl]pyridin-4-imineOCTENIDINE [INN]Win41464;Win-41464;Win 41464Octenidine [INN:BAN]Octenidinum [INN-Latin]Octenidina [INN-Spanish]UNII-OZE0372S5A

Database identifiers

CAS
71251-02-0
PubChem CID
51167
DTXSID
DTXSID70221427
ChEMBL
CHEMBL1199480
ChEBI
CHEBI:135826
UNII
OZE0372S5A
EC Number
615-267-4
Nikkaji
J19.055A

Properties

Computed structural properties

XLogP
11
Topological polar surface area
31.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
25
Heavy atoms
40

Experimental & physicochemical properties

Drugs · 2 items

Pharmaceuticals

Pharmaceuticals -> Listed in ZINC15

Physicochemical properties

Boiling point
609.3 · 609.3±55.0 °C(Predicted)
Density
0.94 · 0.94±0.1 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
pka
14.6 · 14.60±0.70(Predicted)
InChIKey
ZVXNYZWXUADSRV-UHFFFAOYSA-N
SMILES
C(N1C=C/C(=N/CCCCCCCC)/C=C1)CCCCCCCCCN1C=C/C(=N/CCCCCCCC)/C=C1

Chemistry & industry

Pharmacology

ATC Code · 5 items

D08AJ57

R - Respiratory system

A - Alimentary tract and metabolism

QR - Respiratory system

QA - Alimentary tract and metabolism

MeSH Pharmacological Classification · 2 items

Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.

Substances used on humans and other animals that destroy harmful microorganisms or inhibit their activity. They are distinguished from DISINFECTANTS, which are used on inanimate objects.

Uses & manufacturing

UsesUse (kg; approx.) in Germany (2009): >1000

Applications

UsesAnti-infective, topical.

Upstream & downstream products

Suppliers43 total

北京华美互利生物化工010-56205725 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
湖北金梭生物科技有限公司00123456789 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]

Additional notes

DefinitionChEBI: Octenidine is a dihydropyridine.

Related reactions

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