Formula of Pyridoxine (C8H11NO3)
Identification of Pyridoxine Chemical Compound
Chemical Formula | C8H11NO3 |
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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 Formula Description
The pyridoxine molecule contains a total of 23 atom(s). There are 11 Hydrogen atom(s), 8 Carbon atom(s), 1 Nitrogen atom(s), and 3 Oxygen atom(s). A chemical formula of pyridoxine can therefore be written as:
C8H11NO3
The chemical formula of pyridoxine shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.
The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Pyridoxine Molecule
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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 providing the information about the atoms, bonds, connectivity and coordinates of pyridoxine, which is not completely available in the chemical formula representation. The pyridoxine structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of pyridoxine
The chemical structure image of pyridoxine is available in chemical structure page of pyridoxine, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of pyridoxine and the chemical bonds that hold the atoms together.
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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 specified in the chemical formula of pyridoxine.
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InChI (IUPAC International Chemical Identifier) information of pyridoxine
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of pyridoxine is:
InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3
It can provide a standard way to encode the molecular information of pyridoxine to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of pyridoxine is:
InChIKey=LXNHXLLTXMVWPM-UHFFFAOYSA-N
The InChIKey may allow easier web searches for pyridoxine, but it needs to be linked to the full InChI to get back to the original structure of the pyridoxine since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of pyridoxine
The pyridoxine compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of pyridoxine including the registry numbers is given below, 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 they in the pyridoxine structure? |
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 are they in 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 molecular weight of pyridoxine? |
169.17784 g/mol |
What’s the SMILES string of pyridoxine? |
Cc1ncc(CO)c(CO)c1O |
What’s the InChI 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 of pyridoxine? |
LXNHXLLTXMVWPM-UHFFFAOYSA-N |
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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).