Compound Summary
Pentoxyverine citrate
Compound Information
Pentoxyverine citrate
Compound Name: | Pentoxyverine citrate |
Compound CID: | 90010 |
Synonyms: | Pentoxyverine citrate Carbetapentane citrate 23142-01-0 Pentoxiverine citrate Carbetapentane (citrate) More... |
Iupac Name: | 2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate;2-hydroxypropane-1,2,3-tricarboxylic acid |
InChI: | InChI=1S/C20H31NO3.C6H8O7/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) |
InChIKey: | AKJDEXBCRLOVTH-UHFFFAOYSA-N |
Canonical Smiles: | CCN(CC)CCOCCOC(=O)C1(CCCC1)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
Isomeric Smiles: | CCN(CC)CCOCCOC(=O)C1(CCCC1)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
Molecular Weight: | 525.6 |
Molecular Formula: | C26H39NO10 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Pentoxyverine citrate
Molecular Weight: | 525.6 |
Molecular Formula: | C26H39NO10 |
Hydrogen Bond Donor Count: | 4 |
Hydrogen Bond Acceptor Count: | 11 |
Rotatable Bond Count: | 16 |
Heavy Atom Count: | 37 |
Complexity: | 583 |
Synonyms
Pentoxyverine citrate
| Pentoxyverine citrate | Pentoxyverine citrate |
|---|---|
Pentoxyverine citrate |
Carbetapentane citrate |
23142-01-0 |
Pentoxiverine citrate |
Carbetapentane (citrate) |
Carbetapentane citrate salt |
UNII-4SH0MFJ5HJ |
4SH0MFJ5HJ |
Loucarbate |
Toclase |
MFCD00055697 |
Toclase citrate |
Carbetapentone citrate |
2-2-(Diethylamino)ethoxyethyl 1-phenylcyclopentane-1-carboxylate citrate |
Carbetapentane citrate NF |
SR-01000075435 |
EINECS 245-449-5 |
Astomatop (TN) |
2-(2-(diethylamino)ethoxy)ethyl 1-phenylcyclopentanecarboxylate 2-hydroxypropane-1,2,3-tricarboxylate |
Prestwick_748 |
Caretapentane Citrate |
Lopac-C-4662 |
Pentoxyverine citrate,(S) |
2-(2(Diethylamino)ethoxy)ethyl 1-phenyl-cyclopentanecarboxylate citrate (1:1) |
2-(2-(Diethylamino)ethoxy)ethyl 1-phenylcyclopentyl-1-carboxylate dihydrogen citrate |
Ethanol, 2-(2-(diethylamino)ethoxy)-, 1-phenylcyclopentanecarboxylate (ester) citrate |
MLS000859895 |
MLS002207180 |
SCHEMBL160096 |
SPECTRUM1501129 |
Pentoxyverine citrate (JP17) |
CHEMBL1256696 |
CHEBI:31352 |
HMS501B18 |
DTXSID10177717 |
HMS1569M15 |
HMS1921H13 |
HMS2092F03 |
HMS2096M15 |
HMS2233B06 |
HMS3260P08 |
HMS3266A18 |
HMS3370A07 |
HMS3411M11 |
HMS3675M11 |
HMS3713M15 |
Pharmakon1600-01501129 |
BCP13538 |
EX-A4861 |
HY-B1055 |
Tox21_500313 |
2-(2-diethylaminoethoxy)ethyl 1-phenylcyclopentanecarboxylate citrate |
CCG-39029 |
NSC757833 |
2-(2-(Diethylamino)ethoxy)ethyl 1-phenylcyclopentanecarboxylate citrate (1:1) |
AKOS015899622 |
CS-4577 |
LP00313 |
NSC 757833 |
NSC-757833 |
1-Phenyl-cyclopentanecarboxylic acid 2-2-(Diethylamino)ethoxyethyl ester citrate |
1-Phenylcyclopentanecarboxylic acid 2-(2-diethylaminoethoxy)ethyl ester citrate salt |
Cyclopentanecarboxylic acid, 1-phenyl-, 2-(2-(diethylamino)ethoxy)ethyl ester, citrate (1:1) |
NCGC00016128-01 |
NCGC00016128-02 |
NCGC00016128-03 |
NCGC00016128-04 |
NCGC00016128-05 |
NCGC00017090-01 |
NCGC00093760-01 |
NCGC00093760-02 |
NCGC00093760-03 |
NCGC00260998-01 |
AC-19682 |
AS-35372 |
BP166189 |
Diethyl(2-(2-((1-phenylcyclopentyl)formyloxy)ethoxy)ethyl)ammoniumdihydrogen 2-hydroxypropane-1,2,3-tricarboxylate |
CAS-23142-01-0 |
DB-046085 |
EU-0100313 |
FT-0630493 |
C 4662 |
D01260 |
077P236 |
A839013 |
SR-01000075435-1 |
SR-01000075435-3 |
SR-01000075435-5 |
SR-01000075435-7 |
SR-01000075435-8 |
W-107426 |
Q27260431 |
SR-01000075435-11 |
2-(2-diethylaminoethoxy)ethyl 1-phenylcyclopentane carboxylate citrate |
1-Phenylcyclopentanecarboxylic acid 2-(2-diethylaminoethoxy)ethyl ester citrate |
2-2-(diethylamino)ethoxyethyl 1-phenylcyclopentane-1-carboxylate; 2-oxidanylpropane-1,2,3-tricarboxylic acid |
2-hydroxypropane-1,2,3-tricarboxylic acid; 1-phenyl-1-cyclopentanecarboxylic acid 2-2-(diethylamino)ethoxyethyl ester |
Experimental Data
Pentoxyverine citrate
| 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 | -4.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Pentoxyverine citrate
Statistics Data
Pentoxyverine citrate
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -4.000000000000000 | 1 | 1 |
Statistics Data Visualization
Pentoxyverine citrate
