Basic information
- CAS
115900-75-9- Standard SMILES
CCc1c(O)c(=O)ccn1CC- InChIKey
XIYFEESCIBNMIC-UHFFFAOYSA-N- Molecular formula
- C9H13NO2
- Average molar mass
- 167.2 g/mol
- Monoisotopic mass
- 167.09462866
Overview
structure given in first source
Names & identifiers
- Preferred name
- CP 94
- IUPAC
- 1,2-diethyl-3-hydroxypyridin-4-one
- English name
- 1,2-diethyl-3-hydroxypyridin-4-one
- Molecular formula
- C9H13NO2
- Molecular weight
- 167.21
Names & synonyms
115900-75-91,2-Diethyl-3-hydroxypyridin-4-oneCP94Diethyl hydroxypyridinoneCGP 467004(1H)-Pyridinone, 1,2-diethyl-3-hydroxy-1,2-Diethyl-3-hydroxy-4(1H)-pyridinoneCP 94G3PX21X7IUDTXSID00151223RefChem:411623DTXCID8073714
Show more names
CP-941,2-Diethyl-3-hydroxypyridine-4-one3-Hydroxy-1,2-diethylpyridine-4(1H)-one1,2-diethyl-3-hydroxypyridin-4-one ISO 9001：2015 REACH
823-796-91,2-Diethyl-3-hydroxypyridin-4(1H)-one1,2-diethyl-3-hydroxypyrid-4-one1,2-diethyl-3-hydroxy-pyridin-4-one1,2-Diethyl-3-hydroxypyridin-4-one; CGP 46700CP0941,2-diethyl-3-hydroxy-1,4-dihydropyridin-4-oneCCRIS 9395
Database identifiers
- CAS
115900-75-9- PubChem CID
- 86322
- DTXSID
DTXSID00151223- ChEMBL
CHEMBL72457- UNII
- G3PX21X7IU
- EC Number
- 823-796-9
- Nikkaji
- J367.183F
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 253
Experimental & physicochemical properties
LogP0.23
Physicochemical properties
- Boiling point
- 266.3 · 266.3±40.0 °C(Predicted)
- Density
- 1.124 · 1.124±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- 30 mg/ml,DMSO: · DMF: 30 mg/ml,DMSO: 15 mg/ml,Ethanol: 30 mg/ml,PBS (pH 7.2): 10 mg/ml
- form
- A solid
- pka
- 9.48 · 9.48±0.20(Predicted)
- FDA UNII
- 3 PX21X7IU · G3PX21X7IU
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Organic chemicals that form two or more coordination links with an iron ion. Once coordination has occurred, the complex formed is called a chelate. The iron-binding porphyrin group of hemoglobin is an example of a metal chelate found in biological systems.
Applications
UsesCGP 46700 (Compound 49) is an orally active iron chelator, that exhibits high affinity for iron, removes iron from ferritin and human serum transferrin. CGP 46700 promotes iron excretion in a mouse iron overload model[1].
Suppliers13 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
河南伊诺凯新材料有限公司15670530983 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
东阳市求索医药科技有限公司17502510579 · [email protected]
成都同创源医药科技有限公司028-83379370 13880556291 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
郑州艾克姆化工有限公司13303867194 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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