CAS 3811-75-4|CAS 50357-46-5|4,4'[1,6-Hexanediylbis(Oxy)]Bisbenzenecarboximidamide|hexamidine|4-{[6-(4-carbamimidoylphenoxy)hexyl]oxy}benzene-1-carboximidamide|1,6-Bis(4-amidinophenoxy)hexane|Desmod...

General Information

Structure

Molecular Formula

C₂₀H₂₆N₄O₂

Molecular Mass

354.44604

Exact Mass

354.20557609

Charge

InChI

InChI=1S/C20H26N4O2/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24)

InChIKey

OQLKNTOKMBVBKV-UHFFFAOYSA-N

Canonic Smiles

NC(=N)c1ccc(cc1)OCCCCCCOc1ccc(cc1)C(=N)N

Isomeric Smiles

c1(ccc(cc1)OCCCCCCOc1ccc(cc1)C(=N)N)C(=N)N

Calculated Properties

JChem

LogD (pH = 7.4)

-2.06

LogD (pH = 5.5)

-2.06

Log P

2.77

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

12.13

Polar Surface Area

118.20

Polarizability

40.88

Molar Refractivity

125.13

LOG S

-4.90

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

Synonyms

4,4'[1,6-Hexanediylbis(Oxy)]Bisbenzenecarboximidamide1,6-Bis(4-amidinophenoxy)hexane4,4'-[1,6-Hexanediylbis(oxy)]bisbenzenecarboximidamide HydrochlorideDesmodine Hydrochloride4,4'-(Hexamethylenedioxy)dibenzamidine HydrochlorideHexamidine Dihydrochloride4,4-Diamidino-1,6-diphenoxyhexane HydrochlorideHexamidine4-[6-(4-carbamimidoylphenoxy)hexoxy]benzamidine4,4'-(Hexamethylenedioxy)dibenzamidine4,4'-(1,6-Hexanediylbis(oxy))bis-benzenecarboximidamidehexamidine

IUPAC Traditional name

hexamidine

IUPAC name

4-{[6-(4-carbamimidoylphenoxy)hexyl]oxy}benzene-1-carboximidamide

International Nonproprietary Name (INN)

hexamidinahexamidinumhexamidine

Names and Identifiers

Registration numbers

CAS Number

3811-75-450357-46-5

ATC CODE

R01AX07S01AX08S03AA05R02AA18D08AC04