Zoledronate
PubChem CID: 68740
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| Compound Synonyms | Zoledronic acid, 118072-93-8, Zoledronate, Zometa, Reclast, Aclasta, (1-Hydroxy-2-(1H-imidazol-1-yl)ethane-1,1-diyl)diphosphonic acid, (1-Hydroxy-2-imidazol-1-ylethylidene)diphosphonic acid, Zoledronic Acid Anhydrous, Phosphonic acid, [1-hydroxy-2-(1H-imidazol-1-yl)ethylidene]bis-, Zometa (TN), (1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid, CGP 42446, C5H10N2O7P2, Anhydrous Zoledronic Acid, ZOL, Orazol, DTXSID0042668, CHEBI:46557, [1-hydroxy-2-(1H-imidazol-1-yl)ethane-1,1-diyl]bis(phosphonic acid), 70HZ18PH24, Zoledronic acid (INN), Reclast (TN), CHEMBL924, Zoledronic Acid, Anhydrous, NSC-721517, DTXCID8022668, Phosphonic acid, (1-hydroxy-2-(1H-imidazol-1-yl)ethylidene)bis-, [1-hydroxy-2-(1H-imidazol-1-yl)-1-phosphonoethyl]phosphonic acid, NCGC00159521-02, (1-hydroxy-2-(1H-imidazol-1-yl)ethylidene)bisphosphonic acid, Zoledronic acid [USAN:INN:BAN], ZOLEDRONIC ACID [INN], Zomera, 1-hydroxy-2-(1H-imidazol-1-yl)ethane-1,1-diyldiphosphonic acid, Bisphosphonate 3, Zometa (Novartis), Aclasta and Reclast, zoledronic-acid, UNII-70HZ18PH24, BPH 91, Zoledronic Acid?, ZOL 446, MFCD00867791, [1-HYDROXY-2-(1H-IMIDAZOL-1-YL)-ETHYLIDENE]BISPHOSPHONIC ACID, Zoledronic Acid (Standard), Zoledronic acid, Zoledronate, BIDD:PXR0134, SCHEMBL19054, ZOLEDRONIC ACID [MI], BIDD:GT0292, Zoledronic Acid (Zoledronate), GTPL3177, JMC515594 Compound 55, BDBM12578, ZOLEDRONIC ACID [WHO-DD], HMS2089O09, BCP22750, PXB69479, Tox21_111739, HB0674, HY-13777R, NSC721517, s1314, STL452893, AKOS005145739, AB07564, AC-1092, CS-1829, DB00399, HS-0091, NSC 721517, NCGC00159521-03, NCGC00159521-04, NCGC00159521-05, NCGC00159521-09, NCGC00159521-18, HY-13777, CAS-118072-93-8, NS00006387, Z0031, D08689, EN300-117269, H11422, S00092, AB01273947-01, AB01273947-02, AB01273947-03, AB01273947_04, Q218507, SR-05000001436, SR-05000001436-1, BRD-K84253429-001-03-6, BRD-K84253429-001-04-4, 1-Hydroxy-2-(1-imidazolyl)ethane-1,1-diphosphonic Acid, Z1501485360, (1-Hydroxy-2-(1H-imidazol-1-yl)ethane-1,1-diyl)diphosphonicacid, 1-Hydroxy-2-(1H-imidazol-1-yl)ethylidene]-bisphosphonic Acid Hydrate, 2-(Imidazol-1-yl)-1-hydroxyethane-1,1-diphosphonic Acid Hydrate, |
|---|---|
| Topological Polar Surface Area | 153.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 327.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid |
| Prediction Hob | 0.0 |
| Target Id | NPT1384, NPT1495, NPT4015, NPT280, NPT569, NPT568, NPT233, NPT948, NPT949, NPT954 |
| Xlogp | -4.3 |
| Molecular Formula | C5H10N2O7P2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XRASPMIURGNCCH-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | 0.099 |
| Rotatable Bond Count | 4.0 |
| Logd | -1.777 |
| Compound Name | Zoledronate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 271.996 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 271.996 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 272.09 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.221092 |
| Inchi | InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14) |
| Smiles | C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hypericum Perforatum (Plant) Rel Props:Source_db:cmaup_ingredients