Solifenacin
PubChem CID: 154059
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| Compound Synonyms | Solifenacin, 242478-37-1, Soliten, (+)-Solifenacin, solifenacine, Solifenacina, UNII-A8910SQJ1U, Solifenacin (INN), A8910SQJ1U, YM-905, [(3R)-1-azabicyclo[2.2.2]octan-3-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate, NSC-759144, DTXSID3048289, YM 905, NSC 759144, SOLIFENACIN [INN], (S)-(R)-Quinuclidin-3-yl 1-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate, (3R)-1-azabicyclo[2.2.2]octan-3-yl (1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate, Solifenacin [INN:BAN], CHEMBL1200803, 2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-1-phenyl-,1-azabicyclo(2.2.2)oct-3-yl ester, (R-(R*,S*))-, YM905 (free base), NCGC00168778-01, solifenacinum, solifenacin-succinate, MFCD18910847, Solifenacin (Standard), Solifenacin (YM905), SOLIFENACIN [MI], SOLIFENACIN [VANDF], CHEMBL1734, SOLIFENACIN [WHO-DD], SCHEMBL188493, GTPL7483, SCHEMBL9971260, DTXCID8028264, HY-A0034R, G04BD08, CHEBI:135530, FBOUYBDGKBSUES-VXKWHMMOSA-N, HMS3886O15, HY-A0034, BDBM50344284, BDBM50370682, s5238, AKOS015896445, CCG-268199, CS-8096, DB01591, NCGC00168778-06, DB-001095, NS00098872, D08522, D95831, AB01565949_02, EN300-20176688, EN300-20343692, BRD-K24723746-001-01-1, BRD-K24723746-036-02-5, ((8R)-1-azabicyclo(2.2.2)octan-8-yl)(1S)-1-phenyl-3,4-dihydro-1h-isoquinoline-2-carboxylate, (1S)-(3R)-1-azabicyclo[2.2.2]oct-3-yl-3,4-dihydro-1-phenyl-2(1H)-isoquinolinecarboxylate, [(3r)-1-azabicyclo[2.2.2]octan-3-yl](1s)-1-phenyl-3,4-dihydro-1hisoquinoline-2-carboxylate, [(8R)-1-azabicyclo[2.2.2]octan-8-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate, 1172613-99-8 |
|---|---|
| Topological Polar Surface Area | 32.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 524.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Uniprot Id | P08482, P10980, P08483, n.a., P25094, Q12809, Q13936, Q14524, P15382, Q9UK17, O60840, P11229, P08172, P20309, P08173, P08912 |
| Iupac Name | [(3R)-1-azabicyclo[2.2.2]octan-3-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate |
| Prediction Hob | 1.0 |
| Target Id | NPT98, NPT2691, NPT2856, NPT5891, NPT262, NPT263, NPT264, NPT265, NPT266 |
| Xlogp | 4.0 |
| Molecular Formula | C23H26N2O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | FBOUYBDGKBSUES-VXKWHMMOSA-N |
| Fcsp3 | 0.4347826086956521 |
| Logs | -3.907 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.777 |
| Compound Name | Solifenacin |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 362.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 362.199 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 362.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.6533214888888885 |
| Inchi | InChI=1S/C23H26N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21-,22-/m0/s1 |
| Smiles | C1CN2CCC1[C@H](C2)OC(=O)N3CCC4=CC=CC=C4[C@@H]3C5=CC=CC=C5 |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eucommia Ulmoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Jatropha Curcas (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all