Compound Summary
PENTAMIDINE ISETHIONATE
Compound Information
PENTAMIDINE ISETHIONATE
Compound Name: | PENTAMIDINE ISETHIONATE |
Compound CID: | 8813 |
Synonyms: | PENTAMIDINE ISETHIONATE 140-64-7 Pentamidine isethionate salt 4,4-(Pentane-1,5-diylbis(oxy))dibenzimidamide bis(2-hydroxyethanesulfonate) Pentamidine diisethionate More... |
Iupac Name: | 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;2-hydroxyethanesulfonic acid |
InChI: | InChI=1S/C19H24N4O2.2C2H6O4S/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23;2*3-1-2-7(4,5)6/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23);2*3H,1-2H2,(H,4,5,6) |
InChIKey: | YBVNFKZSMZGRAD-UHFFFAOYSA-N |
Canonical Smiles: | C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N.C(CS(=O)(=O)O)O.C(CS(=O)(=O)O)O |
Isomeric Smiles: | C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N.C(CS(=O)(=O)O)O.C(CS(=O)(=O)O)O |
Molecular Weight: | 592.7 |
Molecular Formula: | C23H36N4O10S2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
PENTAMIDINE ISETHIONATE
Molecular Weight: | 592.7 |
Molecular Formula: | C23H36N4O10S2 |
Hydrogen Bond Donor Count: | 8 |
Hydrogen Bond Acceptor Count: | 12 |
Rotatable Bond Count: | 14 |
Heavy Atom Count: | 39 |
Complexity: | 493 |
Synonyms
PENTAMIDINE ISETHIONATE
| PENTAMIDINE ISETHIONATE | PENTAMIDINE ISETHIONATE |
|---|---|
PENTAMIDINE ISETHIONATE |
140-64-7 |
Pentamidine isethionate salt |
4,4-(Pentane-1,5-diylbis(oxy))dibenzimidamide bis(2-hydroxyethanesulfonate) |
Pentamidine diisethionate |
Pentamidine isetionate |
Pentacarinat |
Nebupent |
Pentamidine (isethionate) |
UNII-V2P3K60DA2 |
Pentaminide isetionate |
Pentamidine isothionate |
RP 2512 |
1,5-Bis(p-amidinophenoxy)pentane bis(2-hydroxyethanesulfonate salt) |
Pentam 300 |
CHEBI:7977 |
V2P3K60DA2 |
4,4-(Pentamethylenedioxy)dibenzamidine bis(2-hydroxyethanesulfonate) |
MFCD00079213 |
4,4-Diamidino-alpha,omega-diphenoxypentane isethionate |
NCGC00017022-05 |
Pentamidine diisetionate |
CAS-140-64-7 |
Diamidine |
Lomidine |
4,4-Diamidinodiphenoxypentane di(beta-hydroxyethanesulfonate) |
DSSTox_CID_3796 |
p,p-(Pentamethylenedioxy)dibenzamidine bis(beta-hydroxyethanesulfonate) |
DSSTox_RID_77194 |
DSSTox_GSID_23796 |
PENTAM |
Pneumopent |
Lomidin |
4-5-(4-carbamimidoylphenoxy)pentoxybenzenecarboximidamide;2-hydroxyethanesulfonic acid |
4,4-(pentane-1,5-diylbis(oxy))dibenzimidamide bis(2-hydroxyethane-1-sulfonate)" |
4,4-(Pentane-1,5-diylbis(oxy))dibenzimidamide bis(2-hydroxyethanesulfonate);4,4-(Pentane-1,5-diylbis(oxy))dibenzimidamide bis(2-hydroxyethanesulfonate) |
Lomidine isoethionate |
MB 800 |
SR-01000075174 |
USAF XR-10 |
CCRIS 1660 |
4,4-pentane-1,5-diylbis(oxy)dibenzenecarboximidamide bis(2-hydroxyethanesulfonic acid) |
C23H36N4O10S2 |
Prestwick_857 |
EINECS 205-424-1 |
Pentamidine isethionate USAN:USP |
Pentamidin-Isethionat |
WR 4931 |
2512 R.P. |
M & B 800 |
R.P. 2512 |
Pentam 300 (TN) |
SCHEMBL33615 |
OCZ103-OS |
Pentamidine isetionate (JAN) |
SPECTRUM1500641 |
Pentamidine isethionate (USP) |
CHEMBL361506 |
DTXSID5023796 |
HMS501D11 |
HY-B0537B |
HMS1569P07 |
HMS1921M19 |
HMS2096P07 |
HMS3713P07 |
Pentamidine isethionate salt, powder |
Tox21_110742 |
Tox21_201722 |
Tox21_300312 |
4,4-(Pentamethylenedioxy)-dibenzamidine bis(2-hydroxyethanesulfonate) |
CCG-39715 |
s4007 |
AKOS015914189 |
Tox21_110742_1 |
CS-4133 |
KS-5289 |
MCULE-6357662093 |
NSC 620107 |
NSC 757400 |
NCGC00017022-01 |
NCGC00017022-02 |
NCGC00017022-03 |
NCGC00017022-04 |
NCGC00091927-01 |
NCGC00091927-02 |
NCGC00091927-03 |
NCGC00091927-04 |
NCGC00179034-07 |
NCGC00254121-01 |
NCGC00259271-01 |
bis(2-hydroxyethane-1-sulfonic acid); 4-{5-(4-carbamimidoylphenoxy)pentyloxy}benzene-1-carboximidamide |
Ethanesulfonic acid, 2-hydroxy-, compd. with 4,4-(1,5-pentanediylbis(oxy))bis(benzenecarboximidamide) (2:1) |
M808 |
AB0015398 |
FT-0631814 |
P-155 |
ST51006692 |
C72610 |
D00834 |
140P647 |
SR-01000075174-1 |
SR-01000075174-6 |
SR-01000075174-7 |
W-108199 |
Q26841221 |
Z1558572531 |
1,5-Bis(p-amidinophenoxy)pentane bis(2-hydroxyethanesulfonate salt). |
4,4-(Pentamethylenedioxy)dibenzamidine bis-2-hydroxyethanesulfonate salt |
Pentamidine diisetionate, European Pharmacopoeia (EP) Reference Standard |
Pentamidine isethionate, United States Pharmacopeia (USP) Reference Standard |
4,4-pentane-1,5-diylbis(oxy)dibenzenecarboximidamide bis(2-hydroxyethylsulfonate)" |
Benzamidine, 4,4-(pentamethylenedioxy)di-, bis(beta-hydroxyethanesulfonate) |
pentane-1,5-diylbis(oxy-4,1-phenylene)bis(aminomethaniminium) bis(2-hydroxyethanesulfonate) |
4-5-(4-amidinophenoxy)pentyloxybenzenecarboxamidine, 2-hydroxyethanesulfonic acid, 2-hydroxyethanesulfonic acid |
Experimental Data
PENTAMIDINE ISETHIONATE
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | -1.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
PENTAMIDINE ISETHIONATE
Statistics Data
PENTAMIDINE ISETHIONATE
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -1.000000000000000 | 1 | 1 |
Statistics Data Visualization
PENTAMIDINE ISETHIONATE
