Spiramide
PubChem CID: 68186
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Spiramide, AMI-193, 510-74-7, Espiramida, Spiramidum, Fluroxyspiramine, Spiramide [INN], 8-[3-(4-Fluorophenoxy)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one, R 5808, Spiramidum [INN-Latin], Espiramida [INN-Spanish], R-5808, DTXSID6042579, UNII-471LF4O004, CHEBI:64207, 471LF4O004, CHEMBL79834, DTXCID4022579, NCGC00024633-02, AMI 193, AMI-193, AMI193, Spiramidum (INN-Latin), Espiramida (INN-Spanish), 8-(3-(4-fluorophenoxy)propyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one, 8-(3-(4-Fluorophenoxy)propyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one, 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(4-fluorophenoxy)propyl)-1-phenyl-, 1,3,8-Triazaspiro[4.5]decan-4-one, 8-[3-(4-fluorophenoxy)propyl]-1-phenyl-, 1,3,8-Triazaspiro[4.5]decan-4-one, 8-[3-(p-fluorophenoxy)propyl]-1-phenyl-, CAS-510-74-7, 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(p-fluorophenoxy)propyl)-1-phenyl-, (1R,2R,4S,7R,8S,9S,10S,11R,17R)-8-(Acetyloxy)-11-methyl-5-methylidene-12-oxo-16-oxa-13-azahexacyclo(9.6.3.2,.0,.0,.0,)docosan-9-yl acetic acid, (1R,2R,4S,7R,8S,9S,10S,11R,17R)-8-(Acetyloxy)-11-methyl-5-methylidene-12-oxo-16-oxa-13-azahexacyclo[9.6.3.2,.0,.0,.0,]docosan-9-yl acetic acid, Tocris-0524, Biomol-NT_000039, Biomol-NT_000087, GTPL175, BPBio1_001087, BPBio1_001259, SCHEMBL2110721, BDBM86525, TQP0728, EX-A7239, Tox21_110914, CAS_77445, NSC_77445, 8-[3-(4-Fluorophenoxy)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]-decanone, AKOS024458544, Tox21_110914_1, GS-9308, NCGC00024633-01, NCGC00024633-03, NCGC00024633-04, NCGC00024633-05, NCGC00024633-06, NCGC00024633-07, DA-70768, HY-100971, CS-0020651, G12630, L023992, SR-01000597677, Q7577785, SR-01000597677-1, BRD-K94512704-001-02-1, Z126943398, 8-(3-(4-Fluorophenoxy) propyl)-1-phenyl-1,3,8-triazaspiro(4, 5)decan-4-one, 301541-30-0, 8-[3-(4-Fluorophenoxy)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one, Fluroxyspiramine, Spiramide, AMI-193 |
|---|---|
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 510.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P19327, P08909, P14842, Q61616, P14416, P28223, P10636, P15917, P10635, O15296, P05177, P49798, O94782, P25094, P11021, O75496, Q9NUW8, O75469, P10275, Q16236, P05412 |
| Iupac Name | 8-[3-(4-fluorophenoxy)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one |
| Prediction Hob | 1.0 |
| Target Id | NPT243, NPT290, NPT51, NPT110, NPT208, NPT543 |
| Xlogp | 3.4 |
| Molecular Formula | C22H26FN3O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | FJUKDAZEABGEIH-UHFFFAOYSA-N |
| Fcsp3 | 0.4090909090909091 |
| Logs | -4.37 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.303 |
| Compound Name | Spiramide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 383.201 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 383.201 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 383.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.614538257142857 |
| Inchi | InChI=1S/C22H26FN3O2/c23-18-7-9-20(10-8-18)28-16-4-13-25-14-11-22(12-15-25)21(27)24-17-26(22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,24,27) |
| Smiles | C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCOC4=CC=C(C=C4)F |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Spiraea Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all