Basic information
- CAS
105462-23-5- Standard SMILES
O=P(O)(O)C(O)(Cc1ccccn1)P(=O)(O)O- InChIKey
XXNASZAYANFLID-UHFFFAOYSA-N- Molecular formula
- C7H11NO7P2
- Average molar mass
- 283.11 g/mol
- Monoisotopic mass
- 283.00107569
Names & identifiers
- Preferred name
- NE-58018
- IUPAC
- (1-hydroxy-1-phosphono-2-pyridin-2-ylethyl)phosphonic acid
- English name
- [1-hydroxy-2-(2-pyridinyl)ethylidene]bis(phosphonic acid)
- Molecular formula
- C7H11NO7P2
- Molecular weight
- 283.11
Names & synonyms
NE58018NE-58018Risedronate 2-pyridinyl isomerUNII-0QRY57BJCX0QRY57BJCX(1-Hydroxy-2-(pyridin-2-yl)ethylidene)bis(phosphonic acid)[1-hydroxy-1-phosphono-2-(pyridin-2-yl)ethyl]phosphonic acidNE 58018Phosphonic acid, P,P'-(1-hydroxy-2-(2-pyridinyl)ethylidene)bis-Risedronate sodium 2.5-hydrate impurity B [EP]RISEDRONATE SODIUM 2.5-HYDRATE IMPURITY B [EP IMPURITY](1-hydroxy-1-phosphono-2-(pyridin-2-yl)ethyl)phosphonic acid
Show more names
Risedronate Related CoMpound ARisedronate EP Impurity BRisedronate Sodium EP Impurity BLeuprolide sodium Ep impurities BRisedronate USP Related Compound A[1-Hydroxy-2-(pyridin-2-yl)ethylideRisedronate sodium 2.5-hydrate EP Impurity BRisedronate Impurity 2（Risedronate EP Impurity B）
RISEDRONATE SODIUM 2.5-HYDRATE IMPURITY B (EP IMPURITY)RefChem:202262Risedronate sodium 2.5-hydrate impurity B105462-23-51-Hydroxy-2-(2-pyridinyl) RisedronateCHEMBL434024(1-hydroxy-1-phosphono-2-pyridin-2-ylethyl)phosphonic acid[1-hydroxy-2-(2-pyridinyl)ethylidene]bis(phosphonic acid)
Database identifiers
- CAS
105462-23-5- PubChem CID
- 405372
- DTXSID
DTXSID001357117- ChEMBL
CHEMBL434024- UNII
- 0QRY57BJCX
- EC Number
- 808-912-8
- Nikkaji
- J1.036.764F
Properties
Computed structural properties
- XLogP
- -3.1
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- storage temp.
- 2 · 2-30°C
- solubility
- Aqueous Base (Slightly), Methanol (Slightly)
- BRN
- 8151626 · 8151626
- Stability
- Hygroscopic
- Major Application
- pharmaceutical small molecule
- InChI
- 1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)5-6-3-1-2-4-8-6/h1-4,9H,5H2,(H2,10,11,12)(H2,13,14,15)
- InChIKey
- XXNASZAYANFLID-UHFFFAOYSA-N
- SMILES
- [P](=O)(O)(O)C([P](=O)(O)O)(O)Cc1ncccc1
- FDA UNII
- 0 QRY57BJCX · 0QRY57BJCX
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Danger
- Hazard statements
- 317 · H317-H334
- Precautionary statements
- 261 · P261-P280-P284-P304+P340-P333+P313-P342+P311
- Hazard Codes
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- wgk
- WGK 3
- hs_code
- 2933399090
- risk_code
- 42/43
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- hazard_code
- Xi
- safety_code
- 36/37
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H317-H334
- Hazard Classifications
- Resp. Sens. 1Skin Sens. 1
- Precautionary statements
- P261-P280-P284-P304+P340-P333+P313-P342+P311
Chemistry & industry
Applications
Uses1-Hydroxy-2-(2-pyridinyl) Risedronate is an impurity in the synthesis of Risedronate (R521505), a pyridinyl biphosphonate bone resorption inhibitor.
Upstream & downstream products
Upstream raw materials
Suppliers28 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
天津始加生物医药科技有限公司15022261580 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
ChemeGen 中国18818260767 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
Related reactions
2 records
Compound notes
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