Basic information
- CAS
1464-33-1- Standard SMILES
COCc1c(CO)cnc(C)c1O- InChIKey
SVINQHQHARVZFF-UHFFFAOYSA-N- Molecular formula
- C9H13NO3
- Average molar mass
- 183.2 g/mol
- Monoisotopic mass
- 183.08954328
Overview
Ginkgotoxin is a member of pyridines.
Names & identifiers
- Preferred name
- 4'-O-Methylpyridoxine
- IUPAC
- 5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol
- English name
- 4-methoxymethylpyridoxine
- Molecular formula
- C9H13NO3
- Molecular weight
- 183.2
Names & synonyms
Ginkgotoxin1464-33-14'-O-methylpyridoxine4-Methoxypyridoxine4-Methoxymethylpyridoxine3-Pyridinemethanol, 5-hydroxy-4-(methoxymethyl)-6-methyl-4-O-Methylpyridoxine4-O-methoxypyridoxineBSN7F3YJ95DTXSID00163366RefChem:639962DTXCID7085857
Show more names
Pyridoxine Impurity 244''-O-Methylpyridoxine4''-O-Methylpyridoxine, 10 mM in DMSO4-methoxymethylpyridoxine|||Ginkgotoxin4-methoxymethylpyridoxine ISO 9001：2015 REACH3-Hydroxy-5-hydroxymethyl-4-methoxymethyl-2-picoline
5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-olalpha(sup 4)-O-Methylpyridoxol3-HYDROXY-5-HYDROXYMETHYL-4-METHOXYMETHYL-2-METHYLPYRIDINE5-Hydroxy-4-(methoxymethyl)-6-methyl-3-pyridinemethanol4'-Methoxypyridoxinealpha4-O-MethylpyridoxolUNII-BSN7F3YJ95MFCD00464810
Database identifiers
- CAS
1464-33-1- PubChem CID
- 76581
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 154
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point181 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 181 °C · 181°C
- Boiling point
- 316.88 °C · 316.88°C (rough estimate)
- Density
- 1.1967 · 1.1967 (rough estimate)
- refractive index
- 1.476 · 1.4760 (estimate)
- storage temp.
- -20 °C · -20°C
- solubility
- 1 mg/ml,DMSO: · DMF: 1 mg/ml,DMSO: 5 mg/ml,Ethanol: 1 mg/ml,PBS (pH 7.2): 10 mg/ml
- form
- A crystalline solid
- pka
- 9.68 · 9.68±0.10(Predicted)
- color
- White to yellow
- Stability
- Hygroscopic
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
H300+H330 (50%): Fatal if swallowed or if inhaled [Danger Acute toxicity, oral; acute toxicity, inhalation]
P260, P264, P270, P271, P284, P301+P316, P304+P340, P316, P320, P321, P330, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_class
- IRRITANT
- Hazard statements
- H330-H300
- Precautionary statements
- P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
UsesGinkgotoxin can be used as an intermediate of vitamin B6.
Upstream & downstream products
Upstream raw materials
Suppliers61 total
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
南京优氟医药科技有限公司025-86755008 17751752005 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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