Taurolidine
PubChem CID: 29566
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| Compound Synonyms | TAUROLIDINE, 19388-87-5, Taurolidin, Taurolin, Taurolidina, Taurolidinum, Cyclo-taurolidine, Taurolidinum [INN-Latin], (cyclo)-taurolidine, 4-[(1,1-dioxo-1,2,4-thiadiazinan-4-yl)methyl]-1,2,4-thiadiazinane 1,1-dioxide, Taurolidina [INN-Spanish], Taurolidine [INN:BAN], UNII-8OBZ1M4V3V, EINECS 243-016-5, 8OBZ1M4V3V, Taurolidine (INN), TAUROLIDINE [MI], TAUROLIDINE [INN], 4,4'-Methylenebis(tetrahydro-1,2,4-thiadiazine 1,1-dioxide), W-3100M, TAUROLIDINE [MART.], TAUROLIDINE [WHO-DD], Tauroline, DTXSID00173001, Defencath (taurolidine + heparin), TAUROLOCK COMPONENT TAUROLIDINE, 4,4'-methylenebis(1,2,4-thiadiazinane 1,1-dioxide), Taurolidinum (INN-Latin), 2H-1,2,4-Thiadiazine, 4,4'-methylenebis[tetrahydro-, 1,1,1',1'-tetraoxide, Taurolidina (INN-Spanish), TAUROLIDINE (MART.), 4,4'-METHYLENE-BIS(TETRAHYDRO-1,2,4-THIADIAZINE-1,1-DIOXIDE), 4-[(1,1-dioxo-1lambda6,2,4-thiadiazinan-4-yl)methyl]-1lambda6,2,4-thiadiazinane-1,1-dione, 2H-1,2,4-Thiadiazine, 4,4'-methylenebis(tetrahydro-, 1,1,1',1'-tetraoxide, 4-((1,1-dioxo-1,2,4-thiadiazinan-4-yl)methyl)-1,2,4-thiadiazinane 1,1-dioxide, 2H-1,2,4-Thiadiazine, 4,4'-methylenebis[tetrahydro-, 1,1,1',1'-tetraoxide, 4,4'-Methylenebis(perhydro-1,2,4-thiadiazin 1,1-dioxide), Taurolidine, Taurolin, Tauroline, 4-((1,1-dioxo-1lambda6,2,4-thiadiazinan-4-yl)methyl)-1lambda6,2,4-thiadiazinane-1,1-dione, MFCD00865076, SCHEMBL65313, bis(1,1-dioxo-perhydro-1,2,4-thiadiazinyl-4)methane, CHEMBL2105420, DTXCID7095492, GTPL13030, B05CA05, CHEBI:135173, s4885, Taurolidine, >97% (NMR), powder, DEFENCATH COMPONENT TAUROLIDINE, AKOS015896472, AC-1423, CCG-267310, CS-W012238, DB12473, FT15603, HY-W011522, NCGC00388398-01, LS-13376, NS00005236, T3980, D07146, D78247, EN300-18563487, SR-01000872621, Q3981568, SR-01000872621-2, Bis(1,1-dioxoperhydro-1,2,4-thiadiazinyl-4)-methane, Bis-(1,1-dioxoperhydro-1,2,4-thiadiazinyl-4)methane, BRD-K98765504-001-01-5, 4,4'-Methylenebis(perhydro-1,2,4-thiadiazin 1,1-dioxide), 4,4'-methylenebis-(tetrahydro-1,2,4-thiadiazine-1,1-dioxide), 4-[(1,1-Dioxido-1,2,4-thiadiazinan-4-yl)methyl]-1,2,4-thiadiazinane 1,1-dioxide #, 243-016-5 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 116.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1(C)CCC(CC2CCC(C)(C)CC2)CC1 |
| Deep Smiles | O=S=O)CCNCN6))CNCCS=O)=O)NC6 |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Thiadiazinanes |
| Scaffold Graph Node Level | OS1(O)CCN(CN2CCS(O)(O)NC2)CN1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 419.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[(1,1-dioxo-1,2,4-thiadiazinan-4-yl)methyl]-1,2,4-thiadiazinane 1,1-dioxide |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | -1.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H16N4O4S2 |
| Scaffold Graph Node Bond Level | O=S1(=O)CCN(CN2CCS(=O)(=O)NC2)CN1 |
| Inchi Key | AJKIRUJIDFJUKJ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | taurolidine |
| Esol Class | Very soluble |
| Functional Groups | O=S1(=O)CCN(CN2CCS(=O)(=O)NC2)CN1 |
| Compound Name | Taurolidine |
| Exact Mass | 284.061 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.061 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 284.4 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C7H16N4O4S2/c12-16(13)3-1-10(5-8-16)7-11-2-4-17(14,15)9-6-11/h8-9H,1-7H2 |
| Smiles | C1CS(=O)(=O)NCN1CN2CCS(=O)(=O)NC2 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Lysine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Solena Amplexicaulis (Plant) Rel Props:Reference:ISBN:9770972795006