Oseltamivir
PubChem CID: 65028
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| Compound Synonyms | oseltamivir, 196618-13-0, Tamvir, (-)-oseltamivir, Tamiflu-Free, GS-4104, GS 4104, oseltamivirum, (3R,4R,5S)-Ethyl 4-acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-enecarboxylate, HSDB 7433, Agucort, Ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate, GS4104, Ro-640796, Ro-64-0796, ethyl (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate, Oseltamivir (INN), Ro 640796, UNII-20O93L6F9H, CHEBI:7798, GS-4071 ETHYL ESTER, 20O93L6F9H, RO64-0796, 1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, ethyl ester, (3R-(3alpha,4beta,5alpha))-, DTXSID9044291, ebilfumin, RO640796, Oseltamivir 100 microg/mL in Acetonitrile, OSELTAMIVIR [INN], Oseltamivir [INN:BAN], ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate, ethyl (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxy-cyclohexene-1-carboxylate, ethyl (3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate, Agucort (TN), Tamiflu (*Phosphate salt 1:1*), SR-05000001499, 1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, ethyl ester, (3R,4R,5S)-, oseltamivir-phosphate, GOP-A-Flu, Oseltamivir (Standard), OSELTAMIVIR [MI], GS 4104, GOP-A-Flu, GS-4104, Tamiflu-Free, Tamvir, OSELTAMIVIR [HSDB], OSELTAMIVIR [VANDF], CHEMBL1229, SCHEMBL32035, OSELTAMIVIR [WHO-DD], BIDD:GT0426, OSELTAMIVIR [EMA EPAR], BDBM5025, DTXCID7024291, GTPL11427, J05AH02, VSZGPKBBMSAYNT-RRFJBIMHSA-N, HMS2090C11, EX-A3415, HY-13317R, MFCD00953939, AKOS015843442, AKOS015960501, CS-0552, DB00198, DT-0013, FO61474, ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)cyclohexene-1-carboxylate, Ethyl (5S,3R,4R)-4-(acetylamino)-5-amino-3-(ethylpropoxy)cyclohex-1-enecarboxylate, NCGC00095191-06, NCGC00095191-12, NCGC00095191-14, NCGC00095191-16, NCGC00178698-01, NCGC00178698-02, NCGC00178698-04, HY-13317, NS00000301, O0591, C08092, D08306, E84533, AB00173476-02, AB00173476_04, AR-270/43507961, Q211509, SR-05000001499-1, BRD-K76011241-001-01-8, BRD-K76011241-001-02-6, BRD-K76011241-011-02-5, BRD-K76011241-045-01-5, Ethyl (3R, 4R, 5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate, ethyl (3r,4r,5s)-4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate, ethyl 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate, rel-Ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate, (3r,4r,5s)-4-acetylamino-5-amino-3(1-ethylpropoxy) -1-cyclohexene-1-carboxylic acid ethyl ester, (3R,4R,5S)-4-acetylamino-5-amino-3-(1-ethyl-propoxy)-cyclohex-1-enecarboxylic acid ethyl ester, (3R,4R,5S)-4-acetylamino-5-amino-3-(1-ethyl-propoxy)cyclohex-1-enecarboxylic acid ethyl ester, 182367-47-1 |
|---|---|
| Topological Polar Surface Area | 90.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 418.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Uniprot Id | P03468, P03474, B4URF0, n.a., P23141, Q99519, Q9Y3R4, Q9UQ49, Q8WWR8, Q75VQ4, Q6Q793, A5Z252, Q2LFS1, C4LRQ6, P08183, P03469, P10481, P08684, P10635, P11712, P0DTD1 |
| Iupac Name | ethyl (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate |
| Prediction Hob | 1.0 |
| Target Id | NPT668 |
| Xlogp | 1.1 |
| Molecular Formula | C16H28N2O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | VSZGPKBBMSAYNT-RRFJBIMHSA-N |
| Fcsp3 | 0.75 |
| Logs | -1.792 |
| Rotatable Bond Count | 8.0 |
| Logd | 1.545 |
| Compound Name | Oseltamivir |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 312.205 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.205 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 312.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.149842 |
| Inchi | InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1 |
| Smiles | CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)OCC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Inflata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Lonicera Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Lyonia Ovalifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Rhododendron Latoucheae (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all