Molecular Weight of Alprazolam (C17H13ClN4)
Identification of Alprazolam Chemical Compound
| 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 |
Molecular Weight Description
The alprazolam molecule consists of 13 Hydrogen atom(s), 17 Carbon atom(s), 4 Nitrogen atom(s), and 1 Chlorine atom(s) - a total of 35 atom(s). The molecular weight of alprazolam is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 308.76462 · \frac{g}{mol} $$
The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.
Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Alprazolam Molecule
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Structure Data File (SDF/MOL File) of alprazolam
The structure data file (SDF/MOL File) of alprazolam is available for download in the SDF page of alprazolam, which provides the information on atoms, bonds, connectivity and coordinates of alprazolam. The alprazolam structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.
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Chemical structure of alprazolam
The molecular structure image of alprazolam is available in chemical structure page of alprazolam, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in alprazolam and the chemical bonds that hold the atoms together.
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Chemical formula of alprazolam
The molecular formula of alprazolam is given in chemical formula page of alprazolam, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of alprazolam
In addition to the molecular weight information, the structural information of alprazolam in a textual expression is available via InChi. The full standard InChI of alprazolam is given below:
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 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
It may allow easier web searches for alprazolam. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the alprazolam as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of alprazolam
There may be different names of the alprazolam compound depending on the various situations of industrial applications, which are given below including the registry numbers 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 formula of alprazolam? |
|---|
| C17H13ClN4 |
| How many atoms and what are the elements in the alprazolam molecule? |
| 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 types of bonds are 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 molar mass of alprazolam? |
| 308.76462 g/mol |
| What’s the SMILES format of alprazolam? |
| Cc3nnc4CN=C(c1ccccc1)c2cc(Cl)ccc2n34 |
| What’s the InChI format 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 string of alprazolam? |
| VREFGVBLTWBCJP-UHFFFAOYSA-N |
2471
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).