5-Hydroxytryptamine-d4 creatinine sulfate monohydrate
CAS: 2687960-56-9
| 1 | 5-Hydroxytryptamine-d4 creatinine sulfate monohydrate |
No description available for this item
| Molecular Formula | C14H23N5O7S |
|---|---|
| Canonical SMILES | [2H]C([2H])(C1=CNC2=C1C=C(C=C2)O)C([2H])([2H])N.CN1CC(=O)NC1=N.O.OS(=O)(=O)O |
| Isomeric SMILES | [2H]C([2H])(C1=CNC2=C1C=C(C=C2)O)C([2H])([2H])N.CN1CC(=O)NC1=N.O.OS(=O)(=O)O |
| Molecular Weight | 409.4500 |
| InChIKey | BKCXVJIGPVULPX-SDBXMAHYSA-N |
| InChI | InChI=1S/C10H12N2O.C4H7N3O.H2O4S.H2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;1-7-2-3(8)6-4(7)5;1-5(2,3)4;/h1-2,5-6,12-13H,3-4,11H2;2H2,1H3,(H2,5,6,8);(H2,1,2,3,4);1H2/i3D2,4D2;;; |
| XLogP | 0.0000 |
| ExactMass | 409.1600 |
| MonoisotopicMass | 409.1600 |
| TPSA | 205.0000 |
| Complexity | 407.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 7 |
| HBondAcceptorCount | 8 |
| RotatableBondCount | 2 |
| HeavyAtomCount | 27 |
| IsotopeAtomCount | 4 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 4 |
| PatentCount | 0 |
| PatentFamilyCount | 0 |
| LiteratureCount | 0 |