Compound Summary
Fiduxosin hydrochloride
Compound Information
Fiduxosin hydrochloride
Compound Name: | Fiduxosin hydrochloride |
Compound CID: | 172306 |
Synonyms: | Fiduxosin hydrochloride 208992-74-9 UNII-UYV23L1N89 UYV23L1N89 ABT-980 More... |
Iupac Name: | 5-[4-[(3aR,9bR)-9-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]butyl]-12-phenyl-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene-4,6-dione;hydrochloride |
InChI: | InChI=1S/C30H29N5O4S.ClH/c1-38-22-10-7-11-23-24(22)20-16-34(15-19(20)17-39-23)12-5-6-13-35-29(36)27-25(33-30(35)37)26-28(40-27)31-14-21(32-26)18-8-3-2-4-9-18;/h2-4,7-11,14,19-20H,5-6,12-13,15-17H2,1H3,(H,33,37);1H/t19-,20-;/m1./s1 |
InChIKey: | OFPMGRPQOZABPO-GZJHNZOKSA-N |
Canonical Smiles: | COC1=CC=CC2=C1C3CN(CC3CO2)CCCCN4C(=O)C5=C(C6=NC(=CN=C6S5)C7=CC=CC=C7)NC4=O.Cl |
Isomeric Smiles: | COC1=CC=CC2=C1[C@@H]3CN(C[C@@H]3CO2)CCCCN4C(=O)C5=C(C6=NC(=CN=C6S5)C7=CC=CC=C7)NC4=O.Cl |
Molecular Weight: | 592.1 |
Molecular Formula: | C30H30ClN5O4S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Fiduxosin hydrochloride
Molecular Weight: | 592.1 |
Molecular Formula: | C30H30ClN5O4S |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 8 |
Rotatable Bond Count: | 7 |
Heavy Atom Count: | 41 |
Complexity: | 936 |
Synonyms
Fiduxosin hydrochloride
| Fiduxosin hydrochloride | Fiduxosin hydrochloride |
|---|---|
Fiduxosin hydrochloride |
208992-74-9 |
UNII-UYV23L1N89 |
UYV23L1N89 |
ABT-980 |
5-4-(3aR,9bR)-9-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno3,4-cpyrrol-2-ylbutyl-12-phenyl-8-thia-3,5,10,13-tetrazatricyclo7.4.0.02,7trideca-1(13),2(7),9,11-tetraene-4,6-dione;hydrochloride |
A-185980.1 |
Fiduxosin hydrochloride (USAN) |
Fiduxosin hydrochloride USAN |
MLS002153379 |
NCGC00162178-02 |
SMR001230768 |
Fiduxosin HCl |
DSSTox_CID_28939 |
DSSTox_RID_83205 |
DSSTox_GSID_49013 |
SCHEMBL1321348 |
CHEMBL1256028 |
DTXSID1049013 |
Tox21_113517 |
Tox21_500525 |
CCG-221829 |
LP00525 |
NCGC00093918-01 |
NCGC00261210-01 |
CAS-208993-54-8 |
EU-0100525 |
D04184 |
F 4303 |
Fiduxosin hydrochloride, >98% (HPLC), solid |
SR-01000076209 |
J-013707 |
SR-01000076209-1 |
Q27291340 |
(3-4-((3alphaR,9betaR)-cis-9-methoxy-1,2,3,3a,4,9b-hexahydro-1-benzopyrano3,4-cpyrrol-2-yl)butyl-8-phenyl-pyrazino-2,3:4,5thi-eno 3,2-dpyrimidine-2,4(1H,3H)-dione) hydrochloride" |
8-Phenyl-3-(4-((3aR,9bR)-1,3a,4,9b-tetrahydro-9-methoxy(1)benzopyrano(3,4-c)pyrrol-2(3H)-yl)butyl)pyrazino(2,3:4,5)thieno(3,2-d)pyrimidine-2,4(1H,3H)-dione monohydrochloride" |
Pyrazino(2,3:4,5)thieno(3,2-d)pyrimidine-2,4(1H,3H)-dione, 8-phenyl-3-(4-((3aR,9bR)-1,3a,4,9b-tetrahydro-9-methoxy(1)benzopyran-o(3,4-c)pyrrol-2(3H)-yl)butyl)-,monohydrochloride" |
Pyrazino(2,3:4,5)thieno(3,2-d)pyrimidine-2,4(1H,3H)-dione, 8-phenyl-3-(4-((3aR,9bR)-1,3a,4,9b-tetrahydro-9-methoxy(1)benzopyrano(3,4-c)pyrrol-2(3H)-yl)butyl)-, monohydrochloride" |
Experimental Data
Fiduxosin hydrochloride
| 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 | -11.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Fiduxosin hydrochloride
Statistics Data
Fiduxosin hydrochloride
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -11.000000000000000 | 1 | 1 |
Statistics Data Visualization
Fiduxosin hydrochloride
