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Formula of Alprazolam (C17H13ClN4)

Identification of Alprazolam Chemical Compound

2D chemical structure image of alprazolam
Chemical Formula C17H13ClN4
Molecular Weight 308.76462 g/mol
IUPAC Name 12-chloro-3-methyl-9-phenyl-2,4,5,8-tetraazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),3,5,8,10,12-hexaene
SMILES String Cc3nnc4CN=C(c1ccccc1)c2cc(Cl)ccc2n34
InChI InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
InChIKey VREFGVBLTWBCJP-UHFFFAOYSA-N

Chemical Formula Description

The alprazolam molecule contains a total of 35 atom(s). There are 13 Hydrogen atom(s), 17 Carbon atom(s), 4 Nitrogen atom(s), and 1 Chlorine atom(s). A chemical formula of alprazolam can therefore be written as:

C17H13ClN4

The chemical formula of alprazolam 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.

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

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Additional Information for Identifying Alprazolam Molecule

  • InChI (IUPAC International Chemical Identifier) information of alprazolam

    The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of alprazolam is:

    InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3

    It can provide a standard way to encode the molecular information of alprazolam 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 alprazolam is:

    InChIKey=VREFGVBLTWBCJP-UHFFFAOYSA-N

    The InChIKey may allow easier web searches for alprazolam, but it needs to be linked to the full InChI to get back to the original structure of the alprazolam since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of alprazolam

    The alprazolam compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of alprazolam including the registry numbers is given below, if available:

    • Xanaxreg
    • Niravamreg
    • 12-chloro-3-methyl-9-phenyl-2,4,5,8-tetraazatricyclo[8.4.0.0;{2,6}]tetradeca-1(10),3,5,8,11,13-hexaene
    • 12-CHLORO-3-METHYL-9-PHENYL-2,4,5,8-TETRAAZATRICYCLO[8.4.0.0(2),?]TETRADECA-1(10),3,5,8,11,13-HEXAENE
    • 08H
    • Alprazolam solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material
    • Alprazolam solution, 1 mg/mL in methanol, analytical standard, for drug analysis
    • 8-Chloro-1-methyl-6-phenyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepine
    • 8-chloranyl-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
    • 4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine,8-chloro-1-methyl-6-phenyl-
    • 8-chloro-1-methyl-6-phenyl-4H-s-triazolo[ 4,3-a]-[1,4]benzodiazepine
    • 8-chloro-1-methyl-6-phenyl-4H-s-triazolo [4,3-a][1,4] benzodiazepine
    • 8-chloro-1-methyl-6-phenyl-4H-s-triazolo [4,3-a] [1,4] benzodiazepine
    • Alprazolam, European Pharmacopoeia (EP) Reference Standard
    • BRD-K32398298-001-01-4
    • W-107015
    • A819702
    • CAS-28981-97-7
    • CCG-100855
    • BDBM50001728
    • Pharmakon1600-01502395
    • HMS3393A10
    • Alprazolam-0.25 Tab 0.25mg
    • GTPL7111
    • Alprazolam (JP17/USP/INN)
    • Alprazolam (JP15/USP/INN)
    • Alprazolam-0.5 Tab 0.5mg
    • U31,889
    • D000525
    • Riva-alprazolam 0.25 mg
    • Alprazolam Extended-release
    • Alprazolam Extended Release
    • YU55MQ3IZY
    • Alprazolam Tablets 0.5mg
    • Alprazolam Tablets 0.25
    • Apo-alpraz Tab 0.25mg
    • Nu-alpraz Tab 0.25mg
    • Riva-alprazolam 0.5 mg
    • Arzneimittelwerk Dresden Brand of Alprazolam
    • Apo-alpraz Tab 0.5mg
    • Nu-alpraz Tab 0.5mg
    • 3u5j
    • Xanax Tab 0.25mg
    • nchembio747-comp35
    • Alprazolam [USAN:USP:INN:BAN:JAN]
    • Xanax Tab 0.5mg
    • 8-Chloro-1-methyl-6-(phenyl-d5)-4H-(1,2,4)triazolo[4,3-a][1,4]benzodiazepine
    • Xanax Ts Tab 2mg
    • Xanax Tab 1mg
    • Alprazolam solution
    • Apo-alpraz Ts
    • Alprazolam-1
    • Alprazolam XR
    • Alprazolam ER
    • Ratio-alprazolam
    • Mylan-alprazolam
    • Alprazolam Ts
    • Ntp-alprazolam
    • Nat-alprazolam
    • Ipg-alprazolam
    • Alphapharm Brand of Alprazolam
    • Teva-alprazolam
    • Riva-alprazolam
    • Jamp-alprazolam
    • Nu-Pharm Brand of Alprazolam
    • Nu Pharm Brand of Alprazolam
    • Novopharm Brand of Alprazolam
    • D65MT
    • Temmler Brand of Alprazolam
    • Alprazolam Alphapharm Brand
    • Pfizer Brand of Alprazolam
    • Kenral Brand of Alprazolam
    • Apotex Brand of Alprazolam
    • Alprazolam Nu-Pharm Brand
    • Alprazolam Novopharm Brand
    • Orion Brand of Alprazolam
    • Alprazolam Temmler Brand
    • Alprazolam Pfizer Brand
    • Alprazolam Kenral Brand
    • Alprazolam Apotex Brand
    • Alprazolam Orion Brand
    • 8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-alpha)(1,4)benzodiazepine
    • Nu Alpraz
    • Apo Alpraz
    • Novo Alprazol
    • NuAlpraz
    • ApoAlpraz
    • NovoAlprazol
    • I14-7472
    • 51339-48-1
    • 4H-(1,2,4)Triazolo(4,3-alpha)(1,4)benzodiazepine, 8-chloro-1-methyl-6-phenyl-
    • D00225
    • Alprazolam-d5
    • HMS2051A10
    • Bio-0790
    • BIDD:GT0475
    • 4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine, 8-chloro-1-methyl-6-phenyl-
    • 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-1-methyl-6-phenyl-
    • 4H-s-Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-1-methyl-6-phenyl-
    • BIDD:PXR0150
    • U-31,889
    • 8-Chloro-1-methyl-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepine
    • U-31889
    • TGAR01P
    • Alprazolam [USAN:INN:BAN:JAN]
    • DEA No. 2882
    • Xanax (TN)
    • U 31889
    • D-65MT
    • 8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,4)benzodiazepine
    • Staccato-alprazolam
    • Alprazolam extended release tablets
    • Tranax
    • Panistat
    • Tus 1
    • Alprazolamum [INN-Latin]
    • Zolan
    • Alviz
    • 8-Chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
    • D 65MT
    • Xanax TS
    • TUS-1
    • Tafil D
    • Gen-Alprazolan
    • Azor
    • Zopic
    • Zopax
    • Zolam
    • Zenax
    • Zaxan
    • Helex
    • Alzon
    • Algad
    • Zoldax
    • Zanapam
    • Zacetin
    • Xanolam
    • Unilan
    • Prazam
    • Pharnax
    • Mialin
    • Ksalol
    • Alprax
    • Tensivan
    • Prazolan
    • Alprazolan
    • Alprazolamum
    • Alprazolam intensol
    • Nu-Alpraz
    • Novo-Alprazol
    • Zotran
    • Zoldac
    • Alzam
    • Alpram
    • Alpaz
    • Zolarem
    • Xanagis
    • Valeans
    • Tricalma
    • Relaxol
    • Intensol
    • Bestrol
    • Anpress
    • Alzolam
    • Alcelam
    • 28981-97-7
    • Restyl
    • Ralozam
    • Frontal
    • Constan
    • Alprox
    • Xanax XR
    • Alpronax
    • Apo-Alpraz
    • Xanor
    • Solanax
    • Niravam
    • Esparon
    • Alplax
    • Tranquinal
    • Cassadan
    • Tafil
    • Trankimazin
    • Xanax
    • alprazolam
    • Panix
    • Prinox
    • Neurol

Alprazolam Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of alprazolam?
C17H13ClN4
How many atoms and what are they in the alprazolam structure?
35 atom(s) - 13 Hydrogen atom(s), 17 Carbon atom(s), 4 Nitrogen atom(s), and 1 Chlorine atom(s)
How many chemical bonds and what are they in the alprazolam structure?
38 bond(s) - 25 non-H bond(s), 18 multiple bond(s), 1 rotatable bond(s), 1 double bond(s), 17 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 1 seven-membered ring(s), 1 ten-membered ring(s), 1 eleven-membered ring(s), 1 imine(s) (aromatic), and 1 Triazole(s)
What’s the molecular weight of alprazolam?
308.76462 g/mol
What’s the SMILES string of alprazolam?
Cc3nnc4CN=C(c1ccccc1)c2cc(Cl)ccc2n34
What’s the InChI of alprazolam?
InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
What’s the InChIKey of alprazolam?
VREFGVBLTWBCJP-UHFFFAOYSA-N

4892 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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