| Data Source | External ID(s) |
| ChemDB | 3965382 |
| ChemIDplus | 028981977 |
| ChemZoo | N/A |
| DiscoveryGate | 2118 |
| DrugBank | 2118, APRD00280 |
| EPA DSSTox | 38_FDAMDD_v3b |
| FDA | 18276 |
| Journal of Heterocyclic Chemistry | 19780161_6B, 19800575_1 |
| KEGG | C06817, D00225 |
| MLSMR | MLS000559000 |
| Molecule of the Day | Alprazolam |
| Nature Chemical Biology | nchembio747-comp35 |
| NIST | 979635492 |
| NIST Chemistry WebBook | 979635492 |
| Prous Science Drugs of the Future | 91399 |
| PubChem | 2118 |
| Single Depositions | 249-349-2, 28981-97-7, 8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine, Tranquinal, Alprazolam, Clc2cc3/C(=N\Cc1nnc(C)n1c3cc2)c4ccccc4, xanax |
| Thomson Pharma | 00000184, 00038896 |
| Wikipedia | Alprazolam |
| xPharm | 7839 |
| ZINC | ZINC00000903 |
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
| 249-349-2 [EINECS] |
| 28981-97-7[RN] |
| 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- |
| Alplax |
| alprazolam[Wiki] |
| Alprazolam (JP15/USP) |
| Alprazolam [USAN:BAN:INN:JAN] |
| Alprazolamum [INN-Latin] |
| Alzolam |
| Anxyl |
| Cassadan |
| D 65MT |
| Esparon |
| Helex |
| Mialin |
| Neurol |
| Niravam |
| Novo-Alprazol |
| Nu-Alpraz |
| Panistat |
| Panix[Wiki] |
| Pharnax |
| Prazam |
| Prazolan |
| Prinox |
| Ralozam |
| Relaxol |
| Restyl |
| Solanax |
| Staccato-alprazolam |
| Tafil[Wiki] |
| Tensivan |
| Trankimazin |
| Tranquinal |
| Tricalma |
| TUS-1 |
| Unilan |
| Valeans |
| Xanagis |
| Xanax[Wiki] |
| Xanax (TN) |
| Xanax XR |
| Xanor[Wiki] |
| Zacetin |
| Zanapam |
| Zaxan |
| Zenax |
| Zolan |
| Zolarem |
| Zoldac |
| Zoldax |
| Zotran |
| 4H-s-Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-1-methyl-6-phenyl- |
| 611026_ALDRICH |
| 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-4H-s-triazolo[4,3-a][1,4]benzodiazepine |
| Alcelam |
| Algad |
| Alpaz |
| Alpram |
| Alprax |
| Alpronax |
| Alprox |
| Alzam |
| Alzon |
| Anpress |
| Apo-Alpraz |
| Azor |
| BB_SC-2025 |
| Bestrol |
| Constan |
| CPD000149316 |
| DB00404 |
| Frontal[Wiki] |
| Intensol |
| Ksalol |
| SAM001246696 |
Show Edit Synonym Window
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
| U 31889 |
| U-31889 |
| ZINC00000903 |
| A6551_SIGMA |
| A8800_SIGMA |
| AP-1002 |
| AZ-002 |
| BRN 1223125 |
| C06817 |
| CHEBI:2611 |
| D00225 |
| DEA No. 2882 |
| HSDB 7207 |
| MLS000559000 |
| MLS000759485 |
| NCGC00159466-02 |
| NCGC00159466-03 |
| nchembio747-comp35 |
| SMR000149316 |
Show Edit Synonym Window
|
LogP: |
ACD/LogP:
2.50
XLogP:
4.90
|
# of Rule of 5 Violations: |
0
|
|
ACD/LogD (pH 5.5): |
2.5
|
ACD/LogD (pH 7.4): |
2.5
|
|
ACD/BCF (pH 5.5): |
46.67
|
ACD/BCF (pH 7.4): |
46.71
|
|
ACD/KOC (pH 5.5): |
544.74
|
ACD/KOC (pH 7.4): |
545.23
|
|
#H bond acceptors: |
4
|
#H bond donors: |
0
|
|
#Freely Rotating Bonds: |
1
|
Polar Surface Area: |
43.07
Å2
|
|
Index of Refraction: |
1.71
|
Molar Refractivity: |
88.22
cm3
|
|
Molar Volume: |
225.5
cm3
|
Polarizability: |
34.97
10-24cm3
|
|
Surface Tension: |
52.1
dyne/cm
|
Density: |
1.36
g/cm3
|
|
Flash Point: |
261.6
°C
|
Enthalpy of Vaporization: |
77.94
kJ/mol
|
|
Boiling Point: |
509
°C at 760 mmHg
|
Vapour Pressure: |
1.77E-10
mmHg at 25°C
|
Descriptors:
0, 0, 0, 0, 0, 0, 0, 3, 0, 0, 0, 0, 3, 8, 2, 0, 17, 0, 1, 1, 0, 3, 0, 0
| Category | Target | PDB Code | LASSO Score |
| Other Enzymes | PARP, poly(ADP-ribose) polymerase | 1efy | 0.74 |
| Kinases | PDGFrb, platelet derived growth factor receptor kinase | N/A | 0.70 |
| Other Enzymes | COX-2, cyclooxygenase-2 | 1cx2 | 0.21 |
| Kinases | EGFr, epidermal growth factor receptor | 1m17 | 0.09 |
| Nuclear Hormone Receptors | PPARg, peroxisome proliferator activated receptor | 1fm9 | 0.08 |
| Other Enzymes | HIVRT, HIV reverse transcriptase | 1rt1 | 0.02 |
| Nuclear Hormone Receptors | RXRa, retinoic X receptor R | 1mvc | 0.02 |
| Kinases | P38 MAP, P38 mitogen activated protein | 1kv2 | 0.02 |
| Kinases | VEGFr2, vascular endothelial growth factor receptor | 1vr2 | 0.02 |
| Serine Proteases | FXa, factor Xa | 1f0r | 0.02 |
| Metalloenzymes | PDE5, phosphodiesterase 5 | 1xp0 | 0.02 |
| Kinases | SRC, tyrosine kinase SRC | 2src | 0.01 |
| Serine Proteases | Thrombin | 1ba8 | 0.01 |
| Other Enzymes | HMGR, hydroxymethylglutaryl-CoA reductase | 1hw8 | 0.01 |
| Kinases | HSP90, human heat shock protein 90 | 1uy6 | 0.01 |
| Other Enzymes | COX-1, cyclooxygenase-1 | 1p4g | 0.01 |
| Nuclear Hormone Receptors | MR, mineralocorticoid receptor | 2aa2 | 0.01 |
| Nuclear Hormone Receptors | PR, progesterone receptor | 1sr7 | 0.01 |
| Nuclear Hormone Receptors | ER, estrogen receptor; antagonist | 3ert | 0.01 |
| Other Enzymes | AmpC, AmpC beta-lactamase | 1xgj | 0.01 |
| Other Enzymes | PNP, purine nucleoside phosphorylase | 1b8o | 0.00 |
| Other Enzymes | InhA, enoyl ACP reductase | 1p44 | 0.00 |
| Folate Enzymes | DHFR, dihydrofolate reductase | 3dfr | 0.00 |
| Nuclear Hormone Receptors | ER, estrogen receptor; agonist | 1l2i | 0.00 |
| Metalloenzymes | ACE, angiotensin-converting enzyme | 1o86 | 0.00 |
| Folate Enzymes | GART, glycinamide ribonucleotide transformylase | 1c2t | 0.00 |
| Serine Proteases | Trypsin | 1bju | 0.00 |
| Other Enzymes | GPB, glycogen phosphorylase | 1a8i | 0.00 |
| Metalloenzymes | COMT, catechol O-methyltransferase | 1h1d | 0.00 |
| Other Enzymes | SAHH, S-adenosyl-homocysteine hydrolase | 1a7a | 0.00 |
| Kinases | CDK2, cyclindependent kinase 2 | 1ckp | 0.00 |
| Other Enzymes | HIVPR, HIV protease | 1hpx | 0.00 |
| Kinases | FGFr1, fibroblast growth factor receptor kinase | 1agw | 0.00 |
| Nuclear Hormone Receptors | AR, androgen receptor | 1xq2 | 0.00 |
| Other Enzymes | NA, neuraminidase | 1a4g | 0.00 |
| Kinases | TK, thymidine kinase | 1kim | 0.00 |
| Metalloenzymes | ADA, adenosine deaminase | 1stw | 0.00 |
| Other Enzymes | AChE, acetylcholinesterase | 1eve | 0.00 |
|