Alprazolam (CAS 28981-97-7)

Alprazolam

CAS 28981-97-7  ·  C17H13ClN4  ·  MW 308.8 g/mol

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3D model Alprazolam, CAS 28981-97-7, molecular formula C17H13ClN4, molar mass 308.8 g/mol
About Alprazolam (CAS 28981-97-7)

Alprazolam (CAS 28981-97-7) is a chemical compound registered under number CAS 28981-97-7, with the molecular formula C17H13ClN4, and a molar mass of 308.8 g/mol.

The molecule contains 35 atoms connected by 38 chemical bonds. The full systematic IUPAC name of this compound is 8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 2.1 (positive value, a lipophilic compound), polar surface area PSA = 43.1 Ų, 0 donors and 3 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC17H13ClN4
Molar mass308.8 g/mol
IUPAC8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
SMILESCC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4
InChIKeyVREFGVBLTWBCJP-UHFFFAOYSA-N
logP (XLogP3)2.1
PSA43.1 Ų
HBD / HBA0 / 3
PubChem CIDCID 2118 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H302 — Harmful if swallowed

Scientific literature

Related literature

20 articles · 13 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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📈 Publication timeline (number of articles: 20)

2007: number of articles 120072020: number of articles 12021: number of articles 12022: number of articles 12023: number of articles 220232024: number of articles 12025: number of articles 72026: number of articles 62026

Bar height = number of articles in a given year. Hover over a bar to see details.

Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

Synonyms
alprazolam · Xanax · 28981-97-7 · Niravam · Solanax · Tranquinal · Alplax · Xanor · 8-Chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine · Alpronax · Xanax XR · Restyl · Nu-Alpraz · TUS-1 · Alprazolamum
Data sources
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📜 License & provenanceMolGod_License_1
Model
Alprazolam · 28981-97-7
InChIKey
VREFGVBLTWBCJP-UHFFFAOYSA-N
License & provenance record
Alprazolam (CAS 28981-97-7) →
MolGod molecule record
Alprazolam →
Source data
PubChem CID 2118 ↗
Model information
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