4-[5-[4-[(E)-N'-hydroxycarbamimidoyl]phenoxy]pentoxy]benzamidine

HCID 6505340
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Basic information

CAS
130349-07-4
Standard SMILES
N=C(N)c1ccc(OCCCCCOc2ccc(/C(N)=N\O)cc2)cc1
InChIKey
UREYBSXWRHBDHQ-UHFFFAOYSA-N
Molecular formula
C19H24N4O3
Average molar mass
356.4 g/mol

Overview

See also: N-Hydroxypentamidine (preferred).

Names & identifiers

Preferred name
4-[5-[4-[(E)-N'-hydroxycarbamimidoyl]phenoxy]pentoxy]benzamidine
IUPAC
4-[5-[4-[(E)-N'-hydroxycarbamimidoyl]phenoxy]pentoxy]benzenecarboximidamide
English name
N-hydroxypentamidine
Molecular formula
C19H24N4O3
Molecular weight
356.42

Names & synonyms

CHEMBL513625SCHEMBL123481004-[5-[4-[(E)-N'-hydroxycarbamimidoyl]phenoxy]pentoxy]benzamidine4-[(5-{4-[(E)-Amino(hydroxyimino)methyl]phenoxy}pentyl)oxy]benzenecarboximidamideN-hydroxypentamidinePentaMidine AMidoxiMeN-Hydroxy Pentamidine Acetate (salt)1-(4'-HydroxyaMidinophenoxy)-5-(4'-aMidinophenoxy)pentane4-[[5-[4-[Amino(hydroxyimino)methyl]phenoxy]pentyl]oxy]benzamidine4-[[5-[4-(AMinoiMinoMethyl)phenoxy]pentyl]oxy]-N-hydroxybenzenecarboxiMidaMideBenzenecarboximidamide, 4-[[5-[4-(aminoiminomethyl)phenoxy]pentyl]oxy]-N-hydroxy-

Database identifiers

CAS
130349-07-4
PubChem CID
6505340
ChEMBL
CHEMBL513625

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
127 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
5
Rotatable bonds
10
Heavy atoms
26

Chemistry & industry

Applications

UsesPentamidine Monoxime is an amidoxime metabolite of Pentamidine (P272500).

Suppliers6 total

凯试(上海)科技有限公司021-50135380 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
BOC Sciences16314854226 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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