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SDF/Mol File of Pyridoxine (C8H11NO3)

Identification of Pyridoxine Chemical Compound

2D chemical structure image of pyridoxine
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

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of pyridoxine is available for download. Click the link below to start downloading.

Download structure data file (SDF/MOL File)

The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of pyridoxine molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.

The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.

3D chemical structure image of pyridoxine
Ball-and-stick model of pyridoxine

chemical table area

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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

  • Chemical structure of pyridoxine

    By visualizing the structure data file (SDF/MOL File) above, 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 and the chemical bonds that hold the atoms together.

  • 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 masses of each constituent element multiplied by the number of atoms of that element.

  • Chemical formula of pyridoxine

    The chemical formula of pyridoxine is given 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.

  • InChI (IUPAC International Chemical Identifier) information of pyridoxine

    An alternative way of expressing structural information in text format 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.

  • Other names (synonyms) or registry numbers of pyridoxine

    The pyridoxine compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of pyridoxine including the registry numbers are listed 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 pyridoxine formula?
C8H11NO3
How many atoms and what elements are included in 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 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 pyridoxine’s molar mass?
169.17784 g/mol
What’s the SMILES structure of pyridoxine?
Cc1ncc(CO)c(CO)c1O
What’s the InChI code 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 format of pyridoxine?
LXNHXLLTXMVWPM-UHFFFAOYSA-N

851 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).

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