AG00E8N2

58066-85-6 | hexadecyl 2-(trimethylazaniumyl)ethyl phosphate

AG00E8N2

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CAS Number	58066-85-6
Catalog Number	AG00E8N2(AGN-PC-0JK6LK)
Chemical Name	hexadecyl 2-(trimethylazaniumyl)ethyl phosphate
IUPAC Name	hexadecyl 2-(trimethylazaniumyl)ethyl phosphate
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
InChI Key	PQLXHQMOHUQAKB-UHFFFAOYSA-N
MDL Number	MFCD12828861
Molecular Formula	C21H46NO4P
Molecular Weight	407.5680
SMILES	O=P(OCC[N+](C)(C)C)(OCCCCCCCCCCCCCCCC)[O-]
UNII	53EY29W7EC
Synonyms	D 18506, D-18506, D18506, HDPC, hexadecylphosphocholine, Impavido, miltefosine, Miltex, n-hexadecylphosphorylcholine, Miltefosine, 58066-85-6, Hexadecylphosphocholine, Impavido, Miltex, Hexadecylphosphorylcholine, Miltefosina, HDPC, Miltefosinum, n-Hexadecylphosphorylcholine, miltefosin, hexadecyl 2-(trimethylammonio)ethyl phosphate, Miltefosin C, n-hexadecylphosphocholine, Miltefosinum [INN-Latin], 1-Hexadecylphosphorylcholine, Miltefosina [INN-Spanish], hexadecyl phosphocholine, Miltefosine [INN:BAN], D-18506, UNII-53EY29W7EC, NSC605583, D 18506, monohexadecylphosphocholine, hexadecyl 2-(trimethylazaniumyl)ethyl phosphate, Choline hexadecyl phosphate, CHEMBL125, BRN 3690495, monohexadecylphosphorylcholine, 53EY29W7EC, CHEBI:75283, M-7200, PQLXHQMOHUQAKB-UHFFFAOYSA-N, MFCD00133396, MMV688990, 2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-trimethylethanaminium hydroxide, inner salt, Choline hydroxide, hexadecyl hydrogen phosphate, inner salt, NCGC00095169-01, AK163678, Miltefos, DSSTox_CID_25942, DSSTox_RID_81240, Ethanaminium, 2-(((hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-trimethyl-, hydroxide, inner salt, DSSTox_GSID_45942, Fos-choline 16, Miltefosine (INN), CAS-58066-85-6, C21H46NO4P, Miltextrade mark, HePC Hydrate, Impavidotrade mark, Impavido (TN), Choline, inner salt, IN1227, Miltefosine, 98%, TF-002, NSC 605583, Choline phosphate, hexadecyl ester, hydroxide, inner salt (6CI), AC1L1GAH, Hexadecyl Phosphorylcholine, D18506, H-1850, Ethanaminium, 2-(((hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-trimethyl-, hydroxide, innner salt, SCHEMBL26215, 4-04-00-01460 (Beilstein Handbook Reference), SPECTRUM1505329, ETH098, DTXSID7045942, CTK8G1121, Choline phosphate, hexadecyl ester, hydroxide, inner salt, miltefosine-hexadecylphosphocholine, C15H32.C7H17NO4P, Hexadecyl Phosphorylcholine Hydrate, HMS1922D16, HMS2089J15, HMS3649I09, Pharmakon1600-01505329, hexadecylphosphocholine, miltefosine, BCP04506, miltefosine (hexadecylphosphocholine), Tox21_111466, BDBM50034220, BG0492, CCG-35584, CCG-36097, CCG-40025, DL-131, Hexadecyl 2-(trimethyl-.lambda.~5~-azanyl)ethyl hydrogen phosphate, NSC758968, s3056, 1-N-HEXADECYLPHOSPHORYLCHOLINE, AKOS015914886, Tox21_111466_1, AN-8651, BCP9000927, CS-2933, DB09031, NSC-605583, NSC-758968, KS-00000L54, NCGC00095169-02, NCGC00095169-03, NCGC00095169-05, HY-13685, LS-65132, BCP0726000071, FT-0608148, M2445, hexadecyloxy-2-trimethylammonioethylphosphorate, D02494, hexadecyl (2-(trimethylAmmonio)ethyl) phosphate, AB00642217-03, AB00642217_04, Miltefosine, >=98% (perchloric acid titration), A831718, I14-7244, 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, 2-[[(Hexadecyloxy)hydroxyphosphinyl]oxy]-N,N,N-trimethylethanaminium, 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-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-trimethylethanaminium hydroxide, Ethanaminium, 2-[[(hexadecyloxy)hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, inner salt, HePC, Miltefosine[INN:BAN], Miltefosine [BAN:INN], D00FGR, Baxter brand of miltefosine, Prasfarma brand of miltefosine, CID3599, Baxter Oncology brand of miltefosine, C21-H46-N-O4-P, B1371, hexadecyl 2-trimethylazaniumylethyl phosphate, Choline, hexadecyl hydrogen phosphate, inner salt, C039128, choline phosphate hexadecyl ester, hydroxide, inner salt, HPC, 2-[[(Hexadecyloxy)hydroxyphosphinyl]oxy]-N,N,N-trimethylethanaminium inner salt, 3,5-Dioxa-4-phosphaunacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-, hydroxide, inner salt, 4-oxide,

Complexity	363
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	407.316g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	407.576g/mol
Monoisotopic Mass	407.316g/mol
Rotatable Bond Count	20
Topological Polar Surface Area	58.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H301-H334
Precuationary statements	P261-P301+P310-P342+P311
Siginal words

Certificate of Analysis

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