AG003NP5

66376-36-1 | (4-Amino-1-hydroxybutane-1,1-diyl)diphosphonic acid

AG003NP5

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CAS Number	66376-36-1
Catalog Number	AG003NP5(AGN-PC-0682JT)
Chemical Name	(4-Amino-1-hydroxybutane-1,1-diyl)diphosphonic acid
IUPAC Name	(4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid
InChI	InChI=1S/C4H13NO7P2/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)
InChI Key	OGSPWJRAVKPPFI-UHFFFAOYSA-N
MDL Number	MFCD00868112
Molecular Formula	C4H13NO7P2
Molecular Weight	249.0960
SMILES	NCCCC(O)(P(O)(O)=O)P(O)(O)=O
UNII	X1J18R4W8P
Synonyms	4-Amino-1-Hydroxybutylidene 1,1-Biphosphonate, Alendronate, Alendronate Monosodium Salt, Trihydrate, Alendronate Sodium, Aminohydroxybutane Bisphosphonate, Fosamax, MK 217, MK-217, MK217, ALENDRONIC ACID, alendronate, 66376-36-1, Fosamax, Arendal, Acido alendronico, Acide alendronique, ALENDRONATE SODIUM, Acidum alendronicum, (4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid, (4-Amino-1-hydroxybutane-1,1-diyl)diphosphonic acid, (4-Amino-1-hydroxybutylidene)bisphosphonic acid, Acide alendronique [INN-French], Acido alendronico [INN-Spanish], Acidum alendronicum [INN-Latin], Alendronic acid [INN:BAN], bisphosphonate, Alendronate acid, UNII-X1J18R4W8P, ABDP, (4-amino-1-hydroxybutane-1,1-diyl)bis(phosphonic acid), MK-217, 4-Amino-1-hydroxybutane-1,1-diphosphonic Acid, 4-Amino-1-hydroxybutylidene-1,1-bisphosphonate, CHEMBL870, Phosphonic acid, (4-amino-1-hydroxybutylidene)bis-, 4-Amino-1-hydroxybutylidene-1,1-bis(phosphonic acid), CHEBI:2567, X1J18R4W8P, (4-Amino-1-hydroxybutylidene)diphosphonic acid, OGSPWJRAVKPPFI-UHFFFAOYSA-N, (4-amino-1-hydroxy-1-phosphono-butyl)phosphonic acid, Q-200607, C4H13NO7P2, bisphosphonate, 65, MFCD00868112, Alendronic acid (INN), NCGC00096054-03, SR-05000001906, HSDB 7990, 1yhm, 4-Amino-1-hydroxybutane-1,1-diphosphonate, AHD, AC1L1CW3, BPH 1, Oprea1_422906, SCHEMBL18898, Phosphonic acid, (4-amino-1-hydroxybutylidene)bis, BIDD:GT0180, SPECTRUM1505166, GTPL3141, DTXSID5022568, BDBM25313, CTK8B3779, ZINC3801919, 4-amino-1,1-diphosphonobutan-1-ol, ANW-43156, HSCI1_000337, AKOS001015793, API0005892, DB00630, VZ20111, NCGC00096054-01, NCGC00096054-04, AJ-74282, AK117216, AN-38504, AS-10963, CC-00619, SC-17297, SBI-0206778.P001, AB0008472, AX8002169, LS-106421, FT-0641064, ST24034598, ST50036159, 4-amino-1-hydroxybutylidene-bisphosphonic acid, C07752, D07119, J10298, M-1609, 68549-EP2270008A1, 68549-EP2292617A1, 68549-EP2295426A1, 68549-EP2295427A1, 68549-EP2308855A1, 70013-EP2292592A1, 70013-EP2295409A1, 70013-EP2305640A2, 70013-EP2308479A2, AB01274863-01, (4-Amino-1-Hydroxybutylidene)-Bisphosphonic Acid, 376A361, 4-Amino-1-hydroxy-1,1-butylidinediphosphonic acid, 4-amino-1-hydroxybutane-1,1-diyldiphosphonic acid, A835441, C-15277, I04-9842, SR-05000001906-1, (4-amino-1-hydroxybutane-1,1-diyl)bisphosphonic acid, BRD-K75527158-323-01-3, P,P'-(4-Amino-1-hydroxybutylidene)bisphosphonic acid, Z56771118, (4-azanyl-1-oxidanyl-1-phosphono-butyl)phosphonic acid, (4-AMINO-1-HYDROXY-1-PHOSPHONOBUTYL)PHOSPHONIC ACI, Onclast, Alendronicacid, Alendros, Osteovan, Adronat, Binosto, Fosamac, Indrol, Alend, NeoBon, Fosamax (TN), Monosodium alendronate, Alendronate sodium hydrate, FOSAMAX PLUS D, Alendronate sodium trihydrate, MK 217, D09KLR, Alendronic acid [BAN:INN], Aminohydroxybutane Bisphosphonate, UNII-4988K7X26P, CID2088, C4-H13-N-O7-P2.Na, MK217, C4-H13-N-O7-P2, Alendronate Monosodium Salt, Trihydrate, CS-O-00873, 1713A, A2120, ALENDRONATE MONOSODIUM SALT TRIHYDRATE, 4-Amino-1-Hydroxybutylidene 1,1-Biphosphonate, D019386, alpha-hydroxy-delta-aminobutylidenediphosphonic acid, 4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE, (4-Amino-1-hydroxybutylidene)bisphosphonic acid monosodium salt, 129318-43-0,

Complexity	257
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	249.017g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	6
Isotope Atom Count	0
Molecular Weight	249.096g/mol
Monoisotopic Mass	249.017g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	161A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-6.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 1759

Certificate of Analysis

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