Basic information
- CAS
61-67-6- Standard SMILES
Cc1ncc(CO)c(C)c1O- InChIKey
KKOWAYISKWGDBG-UHFFFAOYSA-N- Molecular formula
- C8H11NO2
- Average molar mass
- 153.18 g/mol
- Monoisotopic mass
- 153.07897859
Overview
4-deoxypyridoxine is a pyridine ring substituted with methyl groups at positions 2 and 4, a hydroxyl at position 3, and a hydroxymethyl group at position 5. It has a role as a metabolite. It is a member of methylpyridines, a monohydroxypyridine and a hydroxymethylpyridine.
Names & identifiers
- Preferred name
- Deoxypyridoxine
- IUPAC
- 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol
- English name
- 4-deoxypyridoxine
- Molecular formula
- C8H11NO2
- Molecular weight
- 153.18
Names & synonyms
4-Deoxypyridoxine61-67-64-DeoxypyridoxolDeoxypyridoxineDesoxypyridoxine5-Hydroxy-4,6-dimethyl-3-pyridinemethanolCHEBI:65083DTXSID502098494'-deoxypyridoxineRefChem:98729DTXCID501323405-(hydroxymethyl)-2,4-dimethylpyridin-3-ol
Show more names
4-DeoxyadermineDesoxypridoxineVitamin B6 EP Impurity B4,6-DIMETHYL-5-HYDROXY-3-PYRIDINEMETHANOL
4-Deoxypyridoxal4-DesoxypyridoxineAdermine, 4-deoxy-.alpha.4-Norpyridoxine3-Pyridinemethanol, 5-hydroxy-4,6-dimethyl-B7LKF6JMQ33-PYRIDINEMETHANOL, 4,6-DIMETHYL-5-HYDROXY-BRN 0128029
Database identifiers
- CAS
61-67-6- PubChem CID
- 6094
- DTXSID
DTXSID50209849- ChEMBL
CHEMBL3244689- ChEBI
CHEBI:65083- UNII
- B7LKF6JMQ3
- EC Number
- 998-834-1
- Nikkaji
- J15.781C
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- Melting point
- 264 °C · 264 °C
- Boiling point
- 276.1 °C · 276.1°C (rough estimate)
- Density
- 1.1577 · 1.1577 (rough estimate)
- refractive index
- 1.501 · 1.5010 (estimate)
- storage temp.
- 2 · 2-8°C
- pka
- 10.54 · 10.54±0.10(Predicted)
- FDA UNII
- 7 LKF6JMQ3 · B7LKF6JMQ3
Safety & regulation
GHS classification
GHS Classification
Warning
H361d (100%): Suspected of damaging the unborn child [Warning Reproductive toxicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesRepr. 2 (100%)
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Substances that reduce or suppress INFLAMMATION.
Substances that are destructive to protozoans.
Applications
Uses5-Hydroxy-4,6-dimethyl-3-pyridinemethanol is used in the study of sphingosine-1-phosphate is a major chemoattractant and stem cell mobilization factor.
Upstream & downstream products
Downstream products
Suppliers13 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
skychemical Co.Ltd021-20958197 20965099 · [email protected]
济南千叶医药技术有限公司0531-81313138 13066006660 · [email protected]
珠海安哲生物科技有限公司13169972583 · [email protected]
上海天习化工有限公司021-20960837,QQ1332204249 · [email protected]
深圳市祥根生物医药有限公司0755-28967200 13631290199 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海语锌医药科技有限公司15921286451; 15921286451 · [email protected]
梯尔希（南京）药物研发有限公司18012923235 · [email protected]
广州市震霖医药科技有限公司18102736234 · [email protected]
Additional notes
DefinitionChEBI: A pyridine ring substituted with methyl groups at positions 2 and 4, a hydroxyl at position 3, and a hydroxymethyl group at position 5.
Related reactions
1 records
Compound notes
Loading…