Miltefosine
PubChem CID: 3599
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| Compound Synonyms | Miltefosine, 58066-85-6, Hexadecylphosphocholine, Miltex, Impavido, HDPC, Hexadecylphosphorylcholine, Miltefosina, Miltefosinum, n-Hexadecylphosphorylcholine, n-hexadecylphosphocholine, 1-Hexadecylphosphorylcholine, Miltefos, hexadecyl 2-(trimethylazaniumyl)ethyl phosphate, miltefosin, D-18506, hexadecyl 2-(trimethylammonio)ethyl phosphate, Miltefosin C, Fos-choline 16, Miltefosinum [INN-Latin], Miltefosina [INN-Spanish], hexadecyl (2-(trimethylAmmonio)ethyl) phosphate, monohexadecylphosphocholine, D 18506, monohexadecylphosphorylcholine, UNII-53EY29W7EC, NSC605583, Miltefosine (INN), NSC-605583, NSC-758968, BRN 3690495, 53EY29W7EC, DTXSID7045942, CHEBI:75283, D18506, MFCD00133396, CHEMBL125, NSC 605583, HePC, Hexadecyl phosphocholine, 2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-trimethylethanaminium hydroxide, inner salt, Choline phosphate, hexadecyl ester, hydroxide, inner salt, DTXCID5025942, 4-04-00-01460 (Beilstein Handbook Reference), MMV688990, Ethanaminium, 2-(((hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-trimethyl-, hydroxide, inner salt, NCGC00095169-01, MILTEFOSINE [INN], Miltefosinum (INN-Latin), Miltefosina (INN-Spanish), MILTEFOSINE (MART.), MILTEFOSINE [MART.], C21H46NO4P, Miltefosine [INN:BAN], CAS-58066-85-6, Choline hexadecyl phosphate, Miltefosine?, Miltextrade mark, Miltefosine API, HePC Hydrate, Impavidotrade mark, Impavido (TN), Choline, inner salt, TF-002, Ethanaminium, 2-(((hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-trimethyl-, hydroxide, innner salt, Choline hydroxide, hexadecyl hydrogen phosphate, inner salt, MILTEFOSINE [MI], Hexadecyl Phosphorylcholine, SCHEMBL26215, MILTEFOSINE [WHO-DD], SPECTRUM1505329, Miltefosine (Impavido, HePC), choline phosphate hexadecyl ester, hydroxide, inner salt, GTPL11355, MILTEFOSINE [ORANGE BOOK], P01CX04, Miltefosine, Hexadecylphosphocholine, Hexadecyl Phosphorylcholine Hydrate, HMS1922D16, HMS2089J15, HMS3649I09, Pharmakon1600-01505329, hexadecylphosphocholine, miltefosine, BCP04506, miltefosine (hexadecylphosphocholine), Tox21_111466, BDBM50034220, CCG-35584, CCG-36097, CCG-40025, DL-131, HB0412, Hexadecyl 2-(trimethyl-.lambda.~5~-azanyl)ethyl hydrogen phosphate, NSC758968, s3056, 1-N-HEXADECYLPHOSPHORYLCHOLINE, AKOS015914886, Tox21_111466_1, BCP9000927, DB09031, FH10347, NCGC00095169-02, NCGC00095169-03, NCGC00095169-05, NCGC00095169-07, HY-13685, BCP0726000071, M2445, NS00004313, hexadecyloxy-2-trimethylammonioethylphosphorate, D02494, AB00642217-03, AB00642217_04, EN300-7397728, Miltefosine, >=98% (perchloric acid titration), Hexadecyl 2-(N,N,N-trimethylamino)ethyl Phosphate, Q411787, Hexadecyl 2-(Trimethylammonio)ethyl Phosphate Hydrate, 2-[hexadecoxy(hydroxy)phosphoryl]oxyethyl-trimethyl-ammonium, Phosphoric Acid Hexadecyl 2-(Trimethylammonio)ethyl Ester, [2-(Hexadecyloxy-hydroxy-phosphoryloxy)-ethyl]-trimethyl-ammonium, 3, 4-hydroxy-N,N,N-trimethyl-, hydroxide, inner salt, 4-oxide, hexadecyl 2-(trimethyl-lambda~5~-azanyl)ethyl hydrogen phosphate, Phosphoric Acid Hexadecyl 2-(Trimethylammonio)ethyl Ester Hydrate, 2-(((Hexadecycloxy)hydroxyphosphinyl)oxy)-N,N,N-trimethylethanaminium Inner Salt, 2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-trimethylethanaminium hydroxide |
|---|---|
| Topological Polar Surface Area | 58.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 363.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | hexadecyl 2-(trimethylazaniumyl)ethyl phosphate |
| Prediction Hob | 0.0 |
| Target Id | NPT3060, NPT728 |
| Xlogp | 6.7 |
| Molecular Formula | C21H46NO4P |
| Prediction Swissadme | 0.0 |
| Inchi Key | PQLXHQMOHUQAKB-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.045 |
| Rotatable Bond Count | 20.0 |
| Logd | 1.685 |
| Compound Name | Miltefosine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 407.316 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 407.316 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 407.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.324671200000001 |
| Inchi | InChI=1S/C21H46NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-27(23,24)26-21-19-22(2,3)4/h5-21H2,1-4H3 |
| Smiles | CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chamaemelum Nobile (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Salvia Hydrangea (Plant) Rel Props:Source_db:cmaup_ingredients