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Creative Commons Attribution-ShareAlike 3.0 United States Inherent Properties, Identifiers and References
ChemSpider ID: 2034
Empirical Formula: C17H13ClN4
Molecular Weight: 308.7649
Nominal Mass: 308 Da
Average Mass: 308.7649 Da
Monoisotopic Mass: 308.082874 Da
Systematic Name: 8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodia​zepine
SMILES: Clc3cc2\C(=N/Cc1nnc(n1c2cc3)C)c4ccccc4
InChI: InChI=1/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-1​3(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
InChIKey: VREFGVBLTWBCJP-UHFFFAOYAT
Creative Commons Attribution-ShareAlike 3.0 United States (Details...) Original Reference(s)
Alprazolam, also known under the trade names Xanax and Niravam, is a short-acting drug of the benzodiazepine class used to treat moderate to severe anxiety disorders, panic attacks, and as an adjunctive treatment for anxiety associated with clinical depression. It is also available in an extended release form, Xanax XR. Both forms are now available generically. Read more... or Edit at Wikipedia...
Creative Commons Attribution-ShareAlike 3.0 United States Disclaimer (Details...) Supplemental Information
(Details...) Names and Synonyms Creative Commons Attribution-ShareAlike 3.0 United States

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
(Details...) Database ID(s) Creative Commons Attribution-ShareAlike 3.0 United States

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
(Details...) Predicted Properties
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
Creative Commons Attribution-ShareAlike 3.0 United States (Details...) SimBioSys LASSO
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
CategoryTargetPDB CodeLASSO Score
Other EnzymesPARP, poly(ADP-ribose) polymerase1efy0.74
KinasesPDGFrb, platelet derived growth factor receptor kinaseN/A0.70
Other EnzymesCOX-2, cyclooxygenase-21cx20.21
KinasesEGFr, epidermal growth factor receptor1m170.09
Nuclear Hormone ReceptorsPPARg, peroxisome proliferator activated receptor1fm90.08
Other EnzymesHIVRT, HIV reverse transcriptase1rt10.02
Nuclear Hormone ReceptorsRXRa, retinoic X receptor R1mvc0.02
KinasesP38 MAP, P38 mitogen activated protein1kv20.02
KinasesVEGFr2, vascular endothelial growth factor receptor1vr20.02
Serine ProteasesFXa, factor Xa1f0r0.02
MetalloenzymesPDE5, phosphodiesterase 51xp00.02
KinasesSRC, tyrosine kinase SRC2src0.01
Serine ProteasesThrombin1ba80.01
Other EnzymesHMGR, hydroxymethylglutaryl-CoA reductase1hw80.01
KinasesHSP90, human heat shock protein 901uy60.01
Other EnzymesCOX-1, cyclooxygenase-11p4g0.01
Nuclear Hormone ReceptorsMR, mineralocorticoid receptor2aa20.01
Nuclear Hormone ReceptorsPR, progesterone receptor1sr70.01
Nuclear Hormone ReceptorsER, estrogen receptor; antagonist3ert0.01
Other EnzymesAmpC, AmpC beta-lactamase1xgj0.01
Other EnzymesPNP, purine nucleoside phosphorylase1b8o0.00
Other EnzymesInhA, enoyl ACP reductase1p440.00
Folate EnzymesDHFR, dihydrofolate reductase3dfr0.00
Nuclear Hormone ReceptorsER, estrogen receptor; agonist1l2i0.00
MetalloenzymesACE, angiotensin-converting enzyme1o860.00
Folate EnzymesGART, glycinamide ribonucleotide transformylase1c2t0.00
Serine ProteasesTrypsin1bju0.00
Other EnzymesGPB, glycogen phosphorylase1a8i0.00
MetalloenzymesCOMT, catechol O-methyltransferase1h1d0.00
Other EnzymesSAHH, S-adenosyl-homocysteine hydrolase1a7a0.00
KinasesCDK2, cyclindependent kinase 21ckp0.00
Other EnzymesHIVPR, HIV protease1hpx0.00
KinasesFGFr1, fibroblast growth factor receptor kinase1agw0.00
Nuclear Hormone ReceptorsAR, androgen receptor1xq20.00
Other EnzymesNA, neuraminidase1a4g0.00
KinasesTK, thymidine kinase1kim0.00
MetalloenzymesADA, adenosine deaminase1stw0.00
Other EnzymesAChE, acetylcholinesterase1eve0.00