Structure & Deep Data of Pyridoxine (C8H11NO3)
Identification of Pyridoxine Chemical Compound
Chemical Formula | C8H11NO3 |
---|---|
Molecular Weight | 169.17784 g/mol |
IUPAC Name | 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol |
SMILES String | Cc1ncc(CO)c(CO)c1O |
InChI | InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3 |
InChIKey | LXNHXLLTXMVWPM-UHFFFAOYSA-N |
Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The pyridoxine molecule contains a total of 23 bond(s). There are 12 non-H bond(s), 6 multiple bond(s), 2 rotatable bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 2 hydroxyl group(s), 1 aromatic hydroxyl(s), 2 primary alcohol(s), and 1 Pyridine(s). Images of the chemical structure of pyridoxine are given below:
The 2D chemical structure image of pyridoxine is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of pyridoxine are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.
The 3D chemical structure image of pyridoxine is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of pyridoxine. Download structure data file (SDF/MOL) file of this compound.
chemical table area
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of pyridoxine is provided here.
The pyridoxine molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the pyridoxine molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of pyridoxine can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Pyridoxine Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of pyridoxine
The SMILES string of pyridoxine is Cc1ncc(CO)c(CO)c1O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the pyridoxine.
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Structure Data File (SDF/MOL File) of pyridoxine
The structure data file (SDF/MOL File) of pyridoxine is available for download in the SDF page of pyridoxine, which provides the information about the atoms, bonds, connectivity and coordinates of pyridoxine. The pyridoxine structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of pyridoxine
The molecular formula of pyridoxine is available in chemical formula page of pyridoxine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of pyridoxine
The molecular weight of pyridoxine is available in molecular weight page of pyridoxine, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.
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Other names (synonyms) or registry numbers of pyridoxine
The pyridoxine compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of pyridoxine including the various registry numbers, if available:
- C-30593
- BBV-34552169
- ZX-AN038037
- 2-methyl-3-hydroxy-4-hydroxymethyl-5-hydroxymethyl pyridine
- Z955123748
- 2-Methyl-3-oxylato-4,5-bis(hydroxymethyl)pyridinium
- Q-201646
- Pyridoxine Hydrochloride Injection USP 100 mg/ml
- D025101
- A835033
- 4,5-Bis(hydroxymethyl)-2-methyl-3-pyridinol #
- M-7962
- EN300-39851
- W7658
- Acti-pyridoxine/pyridoxal 5-phosph 250 Tab
- Acti-pyridoxine/pyridoxal 5-phosph 100 Tab
- Pyridoxine Hydrochloride Injection 100mg/ml
- 3-Hydroxy-4,5-dimethylol-.alpha.-picoline
- SBI-0206844.P001
- 12001-77-3
- Pyridoxine Hydrochloride Injection, USP
- 2-methyl-4,5-dimethylol-pyridin-3-ol
- Vit B6 Pyridoxine HCl Tab 50mg USP
- CCG-213453
- Vitamine B6 100 Mg - Tablet
- Formule No 202 Profil Tab 8.45gm
- 3-hydroxy-2-Picoline-4,5-dimethanol
- Pyridoxine hydrochloride (JP15/USP)
- Vitamine B6 Tab 25mg USP Chewable
- MFCD00006335
- CPD0-1221
- BDBM50103505
- AR-1J1632
- AR-1A6363
- ANW-46602
- ALBB-022452
- Pharmakon1600-01505453
- KUC106691N
- KST-1A8556
- HMDB00239
- B-6 500mg Continuous Released
- Vitamine B6 Tab 100mg USP
- Vitamin B-6 50 Mg Tablet
- B6 250 Caplet 250mg
- Vitamin B6 250 Mg Capsules
- Pyridoxine Hydrochloride (B6)
- Pyridoxine HCl Inj 100mg/ml
- Vitamin B6 Tab 100mg USP
- Formula A.L.- Tab 17mg
- B6 Pyridoxine HCl Tab 50mg
- Vitamin B6 Capsules 3.5mg
- Vitamin B6 Capsules 100mg
- Vitamin B6 100 Mg USP
- Hi Potency Klb6 Tab 17mg
- Vitamine B6 25mg Comprime
- Vitamin B6 Tablets-250mg
- Vitamin B6 Tablets 250mg
- Vit B6 Ctr Srt 100mg
- B6 25 Tab 25mg
- B6 100mg Pyridoxine HCl
- Vitamin B6 100mg Caplet
- Vitamin B-6 Tab 200mg
- Vitamin B-6 100mg Tab
- Pyridoxine HCl Tab 100mg
- Vitamine B6 Tab 250mg
- Vitamin-?B6 hydrochloride
- Pyridoxine HCl Tab 50mg
- Pyridoxine HCl Tab 25mg
- Klb 6 Tab 8.33mg
- Vitamin B6 Tab 250mg
- Vitamin B6 Tab 100mg
- Vitamin B6 Cap 250mg
- Vitamin B6 100mg Tab
- Vitamin B6 50mg Tab
- Vitamin B-6 17mg Tab
- Nutrol-B6 Tab 100mg
- B6 Tab 100mg
- B6 Cap 100mg
- B-6 Caps 250mg
- Vita-doxine Cap 250mg
- Vit B6 Tab 250mg
- B6 400mg Ctr Tab
- Vitamin B6 Tab 50mg
- Vitamin B6 Tab 25mg
- Vitamin B6 100 mg
- Vitamin B-6 200mg
- Vitamin B-6 100mg
- Super Klb6 Tab 17mg
- Pyridoxine-S Tab 50mg
- Hexabetalin (Salt/Mix)
- Pyridoxine, >=98%
- Vitamine B6 100mg
- Vitamin B6 200mg
- Vitamin B6 100mg
- B6 Tablets 100mg
- Vitamin V6 (TN)
- Vitamin B6 (TN)
- Hexobion (Salt/Mix)
- Linum B6 Tab 2mg
- Klb6 Tablets 17mg
- Klb 6 Tab
- Cataplex F Tab 2mg
- Benadon (Salt/Mix)
- Becilan (Salt/Mix)
- Lgb-dtx Tab 10mg
- TRIDMAC
- Pyridoxen Tab 50mg
- Vitamin B6 50mg
- Beesix (Salt/Mix)
- Vitamin-?B6
- Vitamin B6 Tablet
- 4,5-bis(hydroxymethyl)-2-methyl-3-pyridinol hydrochloride
- Vitamin V6
- 3-Hydroxy-4-(hydroxymethyl)-5-(hydroxymethyl-d2)-2-methylpyridine
- 3-Hydroxy-4,5-dimethylol-.alpha.-picoline hydrochloride
- Pridoxine
- D02179
- P0561
- PYRIDOXINE HYDROCHLORIDE, U.S.P.
- Pyridoxine hydrochloride [USAN:JAN]
- HMS1569N08
- CAS-65-23-6
- 65-23-6 (Parent)
- 2B3E07D2-E4CC-4CC5-B085-6070BA01F9F0
- Vitamin B6-hydrochloride
- Pyridoxine, hydrochloride
- I02-1897
- PN
- D08454
- component of Alestrol
- 4,5-bis(hydroxymethyl)-2-methylpyridine-3-ol
- Hexa-betalin (TN)
- 58-56-0 (HCL)
- 2-methyl-3-hydroxy-4,5-bis(hydroxy-methyl) pyridine
- M.V.I.-12
- HMS2093L07
- (5-Hydroxy-6-methylpyridine-3,4-diyl)dimethanol
- Pyridoxine-HCl Microencapsulated
- 58-56-0 (hydrochloride)
- BIDD:PXR0180
- CAS-58-56-0
- bmse000288
- 2-Methyl-3-hydroxy-4,5-dihydroxymethyl-pyridin
- KV2JZ1BI6Z
- 2-methyl-3-hydroxy-4,5-dihydroxymethylpyridine
- 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol
- Pyridoxine (Vit B6)
- Tex Six T.R.
- nchembio.93-comp1
- Rodex
- Pyridox
- 2-Methyl-3-hydroxy-4,5-dihydroxymethyl-pyridin [German]
- Pyridoxine (INN)
- Hexabione hydrochloride
- Aderomine hydrochloride
- Rodex TD
- Pyridoxine hydrogen chloride
- Adermine hydrochloride
- Pyridoxinium chloride
- Pyridoxinum hydrochloricum
- Pyridoxine chloride
- 4,5-Bis(hydroxymethyl)-2-methyl-3-pyridinol
- Pirivitol
- Hexermine
- C8H11NO3
- Bezatin
- Adermin
- Pyridoxin hydrochloride
- Adermin hydrochloride
- Beesix
- Hexobion
- Benadon
- Becilan
- Cernevit-12
- 2-Methyl-4,5-bis(hydroxymethyl)-3-hydroxypyridine
- 2-Methyl-3-hydroxy-4,5-bis(hydroxymethyl)pyridine
- 2-Methyl-3-hydroxy-4,5-di(hydroxymethyl)pyridine
- 2-Picoline-4,5-dimethanol, 3-hydroxy-
- Nestrex
- Bonasanit
- Aderoxine
- 3-Hydroxy-4,5-dimethylol-alpha-picoline
- Pyridoxine [INN:BAN]
- Pyridoxine HCl
- Piridoxina [INN-Spanish]
- Pyridoxinum [INN-Latin]
- Vitaped
- Piridoxina
- Piridossina
- Piridossina [DCIT]
- Hexa-Betalin
- 5-Hydroxy-6-methyl-3,4-pyridinedimethanol
- 3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-
- Pyridoxinum
- Pyridoxolum
- 3-hydroxy-4,5-bis(hydroxymethyl)-2-methylpyridine
- Adermine
- Hydoxin
- Gravidox
- Pyridoxin
- vitamin B6
- Pyridoxol
- 65-23-6
- pyridoxine
Pyridoxine Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of pyridoxine? |
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C8H11NO3 |
How many atoms and what are the elements included the pyridoxine molecule? |
23 atom(s) - 11 Hydrogen atom(s), 8 Carbon atom(s), 1 Nitrogen atom(s), and 3 Oxygen atom(s) |
How many chemical bonds and what kind of bonds are included the pyridoxine structure? |
23 bond(s) - 12 non-H bond(s), 6 multiple bond(s), 2 rotatable bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 2 hydroxyl group(s), 1 aromatic hydroxyl(s), 2 primary alcohol(s), and 1 Pyridine(s) |
What’s the pyridoxine’s molecular weight? |
169.17784 g/mol |
What’s the SMILES code of pyridoxine? |
Cc1ncc(CO)c(CO)c1O |
What’s the InChI string of pyridoxine? |
InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3 |
What’s the InChIKey code of pyridoxine? |
LXNHXLLTXMVWPM-UHFFFAOYSA-N |
4877
The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).