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10H-Thieno[2,3-b][1,5]benzodiazepine, 2-methyl-4-(4-methyl-1-piperazinyl)-(CAS No. 132539-06-1)

10H-Thieno[2,3-b][1,5]benzodiazepine, 2-methyl-4-(4-methyl-1-piperazinyl)- C17H20N4S (cas 132539-06-1) Molecular Structure

132539-06-1 Structure

Identification and Related Records

【Name】
10H-Thieno[2,3-b][1,5]benzodiazepine, 2-methyl-4-(4-methyl-1-piperazinyl)-
【Iupac name】
2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine
【CAS Registry number】
132539-06-1
【Synonyms】
2-Methyl-4-(4-methyl-1-piperazinyl)-10H-thieno(2,3-b)(1,5)benzodiazepine
Olansek
10H-Thieno(2,3-b)(1,5)benzodiazepine, 2-methyl-4-(4-methyl-1-piperazinyl)-
Symbyax
Zyprexa (TN)
Olanzapine [USAN:INN]
2-methyl-4-(4-methylpiperazin-1-yl)-10H-benzo[b]thieno[2,3-e][1,4]diazepine
【Molecular Formula】
C17H20N4S (Products with the same molecular formula)
【Molecular Weight】
312.43
【Inchi】
InChI=1/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
【InChIKey】
KVWDHTXUZHCGIO-UHFFFAOYSA-N
【Canonical SMILES】
CC1=CC2=C(NC3=CC=CC=C3N=C2S1)N4CCN(CC4)C
【MOL File】
132539-06-1.mol

Chemical and Physical Properties

【Appearance】
yellowish crystalline powder
【Density】
1.32 g/cm3
【Melting Point】
195 oC
【Boiling Point】
462.6 oC at 760 mmHg
【Vapour】
0mmHg at 25°C
【Refractive Index】
3.3
【Flash Point】
233.6 oC
【Water】
Practically insoluble in water mg/mL (20 oC)
【Solubilities】
Practically insoluble in water mg/mL (20 oC)
【Storage temp】
Store in original container in a cool dark place.
【Computed Properties】
Molecular Weight:312.4325 [g/mol]
Molecular Formula:C17H20N4S
XLogP3-AA:2.8
H-Bond Donor:1
H-Bond Acceptor:5
Rotatable Bond Count:1
Tautomer Count:3
Exact Mass:312.140867
MonoIsotopic Mass:312.140867
Topological Polar Surface Area:56.2
Heavy Atom Count:22
Formal Charge:0
Complexity:543
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Cation Count:3
Feature 3D Ring Count:4
Effective Rotor Count:2.4
Conformer Sampling RMSD:0.6
CID Conformer Count:4

Safety and Handling

【Safety】

Human systemic effects. When heated to decomposition it emits toxic vapors of NOx and SOx.

【Specification】

? Olanzapine (CAS NO.132539-06-1), its Synonyms are 2-Methyl-4-(4-methyl-1-piperazinyl)-10H-thieno(2,3-b)(1,5)benzodiazepine ; Olansek ; Olanzapine Teva ; Olanzapine Mylan ; Olanzapine Neopharma ; Zalasta ; Zypadhera ; Zyprexa ; 10H-Thieno(2,3-b)(1,5)benzodiazepine, 2-methyl-4-(4-methyl-1-piperazinyl)- . It is yellow crystalline powder.

Use and Manufacturing

【Usage】

A Serotonin (5-HT2) and dopamine (D1/D2) receptor antagonist with anticholinergic activity

Biomedical Effects and Toxicity

【Pharmacological Action】
- Drugs used to prevent NAUSEA or VOMITING.
- Agents that control agitated psychotic behavior, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect. They are used in SCHIZOPHRENIA; senile dementia; transient psychosis following surgery; or MYOCARDIAL INFARCTION; etc. These drugs are often referred to as neuroleptics alluding to the tendency to produce neurological side effects, but not all antipsychotics are likely to produce such effects. Many of these drugs may also be effective against nausea, emesis, and pruritus.
- Compounds that specifically inhibit the reuptake of serotonin in the brain. This increases the serotonin concentration in the synaptic cleft which then activates serotonin receptors to a greater extent. These agents have been used in treatment of depression, panic disorder, obsessive-compulsive behavior, and alcoholism, as analgesics, and to treat obesity and bulimia. Many of the ADRENERGIC UPTAKE INHIBITORS also inhibit serotonin uptake; they are not included here.

Supplier Location

Top Suppliers

Diamond member Nanjing Bangnuo Biotechnology Co., Ltd
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Telephone:0086-27-59207850
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Diamond member Hangzhou Dayangchem Co., Ltd.
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Diamond member Nanjing Chemlin Chemical Co., Ltd.
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Telephone:86-25-83697070
Diamond member NANJING AILY BIOTECHNOLOGY CO.,LTD
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Diamond member Hangzhou J&H Chemical Co., Ltd
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Shanghai Forever Synthesis Co.,Ltd.
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Telephone:86-21-61124658

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