AG00HG2D

121268-17-5 | Phosphonic acid, (4-amino-1-hydroxybutylidene)bis-, monosodium salt, trihydrate

AG00HG2D

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CAS Number	121268-17-5
Catalog Number	AG00HG2D(AGN-PC-0478ON)
Chemical Name	Phosphonic acid, (4-amino-1-hydroxybutylidene)bis-, monosodium salt, trihydrate
EC Number	601-766-4
IUPAC Name	sodium;(4-amino-1-hydroxy-1-phosphonobutyl)-hydroxyphosphinate;trihydrate
InChI	InChI=1S/C4H13NO7P2.Na.3H2O/c5-3-1-2-4(6,13(7,8)9)14(10,11)12;;;;/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12);;3*1H2/q;+1;;;/p-1
InChI Key	DCSBSVSZJRSITC-UHFFFAOYSA-M
MDL Number	MFCD20488817
Molecular Formula	C4H18NNaO10P2
Molecular Weight	325.1237
SMILES	OC(P(O)(O)=O)(CCCN)P([O-])(O)=O.[H]O[H].[H]O[H].[H]O[H].[Na+]
UNII	2UY4M2U3RA
Synonyms	4-Amino-1-Hydroxybutylidene 1,1-Biphosphonate, Alendronate, Alendronate Monosodium Salt, Trihydrate, Alendronate Sodium, Aminohydroxybutane Bisphosphonate, Fosamax, MK 217, MK-217, MK217, 121268-17-5, Alendronate sodium trihydrate, Alendronate monosodium trihydrate, Alendronate sodium hydrate, Adronat, ALENDRONATE SODIUM, Fosamax, Alendros, Elandor, Fosalan, Dronal, Alendronate, Sodium Salt, Sodium alendronate hydrate, UNII-2UY4M2U3RA, Alendronate (sodium hydrate), MK-217, Alendronate sodium [USAN], 2UY4M2U3RA, CHEBI:2566, Monosodium (4-amino-1-hydroxybutylidene)bisphosphonate trihydrate, SODIUM ALENDRONATE TRIHYDRATE, G-704,650, MFCD01748233, Sodium alendronate, AK117569, Aminohydroxybutylidene biphosphonate monosodium salt trihydrate, Sodium trihydrogen (4-amino-1-hydroxybutylidene)diphosphonate, trihydrate, Alendronate sodium (USAN), DSSTox_CID_27778, DSSTox_RID_82554, C4H18NNaO10P2, DSSTox_GSID_47801, Q-200606, Phosphonic acid, (4-amino-1-hydroxybutylidene)bis-, monosodium salt, trihydrate, CAS-121268-17-5, NCGC00096054-03, Alendronate sodium [USAN:USP], Binosto (TN), Fosamax (TN), Alendronate (Fosamax), Alendronate-Sodium(Fosamax), AC1Q1W17, CHEMBL2367465, DTXSID7047801, CTK8B3778, DCSBSVSZJRSITC-UHFFFAOYSA-M, sodium trihydrate alendronate(1-), Alendronate sodium hydrate (JP17), BCP22746, KS-00000L1S, Tox21_111553, ANW-43155, GP1402, AKOS015960820, AKOS016010492, Tox21_111553_1, 129318-43-0 (anhyd.), AB09896, AC-8070, AN-8360, CS-0431, DS-2820, RTR-003482, ALENDRONATE SODIUM SALT TRIHYDRATE, NCGC00263967-02, HY-11101, I914, SC-45997, SY070842, AB0013933, AX8041220, LS-106424, ST2412625, TL8000566, TR-003482, ALENDRONATE MONOSODIUM SALT TRIHYDRATE, FT-0601586, MFCD01748233 (97%), D00939, J10154, Alendronate sodium trihydrate, >=97% (NMR), powder, 4-AMINO-1-HYDROXY-1-PHOSPHONOBUTYL PHOSPHONIC ACID, 4-amino-1-hydroxy-1-phosphonobutyl phosphonic acid, monosodium, 4-Amino-1-hydroxy-1-phosphonobutyl phosphonic acid monosodium trihydrate, Alendronate sodium, United States Pharmacopeia (USP) Reference Standard, sodium (4-amino-1-hydroxy-1-phosphono-butyl)-hydroxy-phosphinate trihydrate, sodium hydrogen (4-amino-1-hydroxy-1-phosphonobutyl)phosphonate trihydrate, sodium trihydrate hydrogen (4-amino-1-hydroxy-1-phosphonobutyl)phosphonate, sodium trihydrogen 4-amino-1-hydroxybutylidenediphosphonate trihydrate, sodium(4-amino-1-hydroxy-1-phosphonobutyl)-hydroxyphosphinatetrihydrate, sodium;(4-amino-1-hydroxy-1-phosphonobutyl)-hydroxyphosphinate;trihydrate, Alendronate Sodium, Pharmaceutical Secondary Standard; Certified Reference Material, Sodium alendronate trihydrate, European Pharmacopoeia (EP) Reference Standard, alendronate, Arendal, Onclast, Aldehyde C8, C4H13NO7P2.3H2O.Na, CID60736, C4-H13-N-O7-P2.3H2-O.Na, 1713H, Alendronate sodium trihydrate, 98% - 25G 25g, 4-AMINO-1-HYDROXYBUTYLIDENE-1,1-BISPHOSPHONIC ACID MONOSODIUM SALT,

Complexity	293
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	5
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	325.03g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	8
Isotope Atom Count	0
Molecular Weight	325.122g/mol
Monoisotopic Mass	325.03g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	167A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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