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37115-32-5 molecular structure
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({12-chloro-9-phenyl-2,4,5,8-tetraazatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),3,5,8,11,13-hexaen-3-yl}methyl)dimethylamine

ChemBase ID: 428
Molecular Formular: C19H18ClN5
Molecular Mass: 351.83272
Monoisotopic Mass: 351.12507328
SMILES and InChIs

SMILES:
Clc1cc2c(n3c(nnc3CN=C2c2ccccc2)CN(C)C)cc1
Canonical SMILES:
CN(Cc1nnc2n1c1ccc(cc1C(=NC2)c1ccccc1)Cl)C
InChI:
InChI=1S/C19H18ClN5/c1-24(2)12-18-23-22-17-11-21-19(13-6-4-3-5-7-13)15-10-14(20)8-9-16(15)25(17)18/h3-10H,11-12H2,1-2H3
InChIKey:
GJSLOMWRLALDCT-UHFFFAOYSA-N

Cite this record

CBID:428 http://www.chembase.cn/molecule-428.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
({12-chloro-9-phenyl-2,4,5,8-tetraazatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),3,5,8,11,13-hexaen-3-yl}methyl)dimethylamine
IUPAC Traditional name
deracyn
Brand Name
Deracyn
Synonyms
Adinazolamum [INN-Latin]
Adinazolam
CAS Number
37115-32-5
PubChem SID
46509054
160963891
PubChem CID
37632

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
DrugBank DB00546 external link
PubChem 37632 external link
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

ALOGPS 2.1 JChem
LOG S -3.72  Solubility (Water) 6.72e-02 g/l 
Log P 2.57 
Molar Refractivity 112.308 cm3 Polarizability 38.688606 Å3
Polar Surface Area 46.31 Å2 Rotatable Bonds
Lipinski's Rule of Five true  Acid pKa 18.384146 
H Acceptors H Donor
LogD (pH = 5.5) -1.3425525  LogD (pH = 7.4) 1.3221885 
Log P 2.2407 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Hydrophobicity(logP)
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DETAILS

DETAILS

DrugBank DrugBank
DrugBank - DB00546 external link
Item Information
Drug Groups approved
Description Adinazolam (Deracyn?) is a benzodiazepine derivative. It possesses anxiolytic, anticonvulsant, sedative, and antidepressant properties. Adinazolam was developed by Dr. Jackson B. Hester, who was seeking to enhance the antidepressant properties of alprazolam, which he also developed.
Indication For the treatment of anxiety and status epilepticus.
Pharmacology Adinazolam is a benzodiazepine derivative used to treat anxiety, status epilepticus, and for sedation induction and anterograde amnesia. Adinazolam binds with high affinity to the GABA benzodiazepine receptor complex. Considerable evidence suggest that the central pharmacologic/therapeutic actions of alprazolam are mediated via interaction with this receptor complex.
Toxicity Signs of overdose may include muscle weakness, ataxia, dysarthria and particularly in children paradoxical excitement. In more severe cases diminished reflexes, confusion, and coma may ensue.
Affected Organisms
Humans and other mammals
Biotransformation Hepatic. The main metabolite is N-desmethyladinazolam. The other two metabolites are alpha-hydroxyalprazolam and estazolam.
Half Life Less than 3 hours.
References
Lahti RA, Sethy VH, Barsuhn C, Hester JB: Pharmacological profile of the antidepressant adinazolam, a triazolobenzodiazepine. Neuropharmacology. 1983 Nov;22(11):1277-82. [Pubmed]
Sethy VH, Collins RJ, Daniels EG: Determination of biological activity of adinazolam and its metabolites. J Pharm Pharmacol. 1984 Aug;36(8):546-8. [Pubmed]
File SE, Pellow S: Triazolobenzodiazepines antagonize the effects of anxiogenic drugs mediated at three different central nervous system sites. Neurosci Lett. 1985 Oct 24;61(1-2):115-9. [Pubmed]
External Links
Wikipedia

REFERENCES

REFERENCES

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  • • Lahti RA, Sethy VH, Barsuhn C, Hester JB: Pharmacological profile of the antidepressant adinazolam, a triazolobenzodiazepine. Neuropharmacology. 1983 Nov;22(11):1277-82. Pubmed
  • • Sethy VH, Collins RJ, Daniels EG: Determination of biological activity of adinazolam and its metabolites. J Pharm Pharmacol. 1984 Aug;36(8):546-8. Pubmed
  • • File SE, Pellow S: Triazolobenzodiazepines antagonize the effects of anxiogenic drugs mediated at three different central nervous system sites. Neurosci Lett. 1985 Oct 24;61(1-2):115-9. Pubmed
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PATENTS

PATENTS

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