Basic information
- CAS
81382-51-6- Standard SMILES
CN1CCN(C2=Nc3ccccc3Sc3nccn32)CC1- InChIKey
FACMWMBWGSPRKO-UHFFFAOYSA-N- Molecular formula
- C15H17N5S
- Average molar mass
- 299.4 g/mol
- Monoisotopic mass
- 299.12046674
Names & identifiers
- Preferred name
- Pentiapine
- IUPAC
- 5-(4-methylpiperazin-1-yl)imidazo[2,1-b][1,3,5]benzothiadiazepine
- English name
- Pentiapine
- Molecular formula
- C15H17N5S
- Molecular weight
- 299.39
Names & synonyms
Pentiapine81382-51-6Pentiapine [INN]UNII-RAP39VD6P5RAP39VD6P5DTXSID60231075pentiapina5-(4-METHYL-1-PIPERAZINYL)IMIDAZO(2,1-B)(1,3,5)BENZOTHIADIAZEPINEpentiapinumRefChem:171488DTXCID601535665-(4-methylpiperazin-1-yl)imidazo[2,1-b][1,3,5]benzothiadiazepine
Show more names
Pentiapine, 10 mM in DMSO5-(4-Methyl-1-piperazinyl)imidazo[2,1-b][1,3,5]benzothiadiazepineCGS10746,Pentiapine,inhibit,Inhibitor,CGS-10746,Dopamine ReceptorImidazo[2,1-b][1,3,5]benzothiadiazepine, 5-(4-methyl-1-piperazinyl)-
CGS 107468-(4-methylpiperazin-1-yl)-2-thia-4,7,9-triazatricyclo[8.4.0.0?,?]tetradeca-1(14),3,5,8,10,12-hexaene5-(4-methylpiperazino)-imidazo[2,1-b][1,3,5]benzothiadiazepine5-(4-methylpiperazino]-imidazo[2,1-b][1,3,5]benzothiadiazepine5-(4-methyl-1-piperazinyl)imidazo(2,1-b)(1,3,5)benzothiadiazepine maleateorb1309271CHEMBL2105337SCHEMBL10982884
Database identifiers
- CAS
81382-51-6- PubChem CID
- 54742
- DTXSID
DTXSID60231075- ChEMBL
CHEMBL2105337- ChEBI
CHEBI:177468- UNII
- RAP39VD6P5
- Nikkaji
- J152.153E
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 62 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 407
Physicochemical properties
- Melting point
- 141 · 141-144 °C(Solv: isopropanol (67-63-0))
- Boiling point
- 548.2 · 548.2±60.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 100 mg/mL · DMSO: 100 mg/mL (334.01 mM)
- form
- Solid
- pka
- 7.21 · 7.21±0.42(Predicted)
- color
- White to off-white
- FDA UNII
- 39 VD6P5 · RAP39VD6P5
Chemistry & industry
Applications
UsesPentiapine (CGS 10746) is a dopamine release inhibitor without binding to synaptic dopamine receptor sites[1][2].
Suppliers13 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
上海凯裕医药科技有限公司17317130613 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
10 records
Compound notes
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