AG007YTX

142340-99-6 | Adefovir Dipivoxil

AG007YTX

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CAS Number	142340-99-6
Catalog Number	AG007YTX(AGN-PC-0JL464)
Chemical Name	Adefovir Dipivoxil
IUPAC Name	[2-(6-aminopurin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
InChI	InChI=1S/C20H32N5O8P/c1-19(2,3)17(26)30-11-32-34(28,33-12-31-18(27)20(4,5)6)13-29-8-7-25-10-24-14-15(21)22-9-23-16(14)25/h9-10H,7-8,11-13H2,1-6H3,(H2,21,22,23)
InChI Key	WOZSCQDILHKSGG-UHFFFAOYSA-N
MDL Number	MFCD00869897
Molecular Formula	C20H32N5O8P
Molecular Weight	501.4705
SMILES	NC1=C2N=CN(CCOCP(OCOC(C(C)(C)C)=O)(OCOC(C(C)(C)C)=O)=O)C2=NC=N1
UNII	U6Q8Z01514
Synonyms	9-(2-((-bis((pivaloyloxy)methoxy)phosphinyl)methoxy)ethyl)adenine, adefovir depivoxil, adefovir dipivoxil, GS 840, GS-0840, Hepsera, Preveon, ADEFOVIR DIPIVOXIL, 142340-99-6, Hepsera, Preveon, bis-POM PMEA, Adefovir pivoxil, Adefovirdipivoxl, GS 840, GS-0840, GS-840, GS 0840, Adefovir dipivoxyl, [2-(6-aminopurin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate, UNII-U6Q8Z01514, C20H32N5O8P, Adefovir dipivoxil (USAN), Adefovir dipivoxil [USAN], MFCD00869897, Adefovir Dipivoxil (Preveon, Hepsera), U6Q8Z01514, (((2-(6-Amino-9H-purin-9-yl)ethoxy)methyl)phosphinylidene)bis(oxymethylene) 2,2-dimethylpropanoate, NCGC00164624-01, 9-(2-((Bis((pivaloyloxy)methoxy)phosphinyl)methoxy)ethyl)adenine, adefovir depivoxil, ((2-(6-Amino-9H-purin-9-yl)ethoxy)methyl)phosphonic acid, diester with hydroxymethyl pivalate, DSSTox_CID_26487, DSSTox_RID_81658, DSSTox_GSID_46487, Propanoic acid, 2,2-dimethyl-, (((2-(6-amino-9H-purin-9-yl)ethoxy)methyl)phosphinylidene)bis(oxymethylene) ester, Q-101927, 9-[2-[Bis(pivaloyloxymethoxy)phosphorylmethoxy]ethyl]adenine, YouHeDing, ((((2-(6-amino-9H-purin-9-yl)ethoxy)methyl)phosphoryl)bis(oxy))bis(methylene) bis(2,2-dimethylpropanoate), [({[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}({[(2,2-dimethylpropanoyl)oxy]methoxy})phosphoryl)oxy]methyl 2,2-dimethylpropanoate, Bis(pom)PMEA, SMR002530072, Hepsera (TM), Hepsera (TN), Piv2PMEA, CAS-142340-99-6, Bis(POM)-PMEA, Adefovir pivoxil (JAN), Bis-POM PMEA, Adefovir Dipivoxil, PubChem14224, CHEMBL922, Adefovir-Dipivoxil(Preveon), SCHEMBL29729, MLS003915635, MLS004774124, ARONIS27063, AC1L1U36, DTXSID5046487, CTK8B3813, Bis(pivaloyloxymethyl)-9-(2-phosphonylmethoxyethyl)adenine, BCPP000434, HMS3604F09, HMS3655I04, BCP22959, HY-B0255, ZINC3930376, Adefovir di(pivaloyloxymethyl) ester, Tox21_112243, ANW-43238, CA0117, GP5823, s1718, STL257088, AKOS005145737, Tox21_112243_1, AB07592, AC-1693, AN-6719, API0001387, BCP9000232, CS-2240, DB00718, GS-3604, MCULE-6257358029, RP17773, RTC-070886, KS-00000L27, KS-000048K6, NCGC00164624-02, NCGC00164624-03, AK546547, BC206225, CC-23770, Propanoic acid,2,2-dimethyl-(((2-(6-amino-9H-purin-9-yl)ehtoxy)mehtyl)phosphinyldiene)bis(oxymehtylene)ester, BCP0726000157, AB0012816, AB2000245, LS-173141, TC-070886, TL8000938, B2222, FT-0082875, FT-0631164, SW219933-1, Bis-POM PMEA;Preveon;Hepsera;Preveon;Hepsera, D01655, W-2203, AB01274706-01, AB01274706_02, 340A996, A807894, C-22950, SR-01000931258, I06-1150, I14-3234, SR-01000931258-2, BRD-K96159438-001-03-0, 9-(2[bis(Pivaloyloxymethoxy)phosphorylmethoxy]ethyl)adenine, Adefovir dipivoxil, Antibiotic for Culture Media Use Only, BIS(PIVALOYLOXYMETHYL)-9-[2-(PHOSPHONOMETHOXY)ETHYL]ADENINE, 9-[2-[BIS[(PIVALOYLOXY)METHOXY]PHOSPHINYL]METHOXY]ETHYL]ADENINE, (((2-(6-AMINO-9H-PURIN-9-YL)ETHOXY)METHYL)PHOSPHORYL)BIS(OXY)BIS(METHYLENE) BIS(2,2-DIMETHYLPROPANOATE), 2,2-dimethylpropanoic acid [2-(6-aminopurin-9-yl)ethoxymethyl-[(2,2-dimethyl-1-oxopropoxy)methoxy]phosphoryl]oxymethyl ester, 3-{[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}-8,8-dimethyl-3-oxido-7-oxo-2,4,6-trioxa-3-phosphanon-1-yl pivalate (non-preferred, 3-{[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}-8,8-dimethyl-3-oxido-7-oxo-2,4,6-trioxa-3?5-phosphanon-1-yl 2,2-dimethylpropanoate, 3-{[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}-8,8-dimethyl-3-oxido-7-oxo-2,4,6-trioxa-3lambda~5~-phosphanon-1-yl 2,2-dimethylpropanoate, ADEFOVIR, PMEA, Preveon (TN), D0ML1F, CID60871, C20-H32-N5-O8-P, ACN-048269, CS-O-30467, A2414, A10039, 9-(2-((-Bis((pivaloyloxy)methoxy)phosphinyl)methoxy)ethyl)adenine, C106812, Bis-POM PMEA, Preveon, Hepsera, Adefovir Dipivoxil, ADV, 106941-25-7,

Complexity	706
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	501.199g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	501.477g/mol
Monoisotopic Mass	501.199g/mol
Rotatable Bond Count	15
Topological Polar Surface Area	167A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number