Basic information
- CAS
21636-40-8- Standard SMILES
c1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1O2- InChIKey
KVGUXITYUGRGRV-UHFFFAOYSA-N- Molecular formula
- C17H17N3O
- Average molar mass
- 279.34 g/mol
- Monoisotopic mass
- 279.13716216
Names & identifiers
- Preferred name
- 11-(Piperazin-1-yl)dibenzo(b,f)(1,4)oxazepine
- IUPAC
- 6-piperazin-1-ylbenzo[b][1,4]benzoxazepine
- English name
- 11-Piperazinyldibenz[b,f][1,4]oxazepine
- Molecular formula
- C17H17N3O
- Molecular weight
- 279.34
Names & synonyms
11-(piperazin-1-yl)dibenzo[b,f][1,4]oxazepine11-(Piperazin-1-yl)dibenzo(b,f)(1,4)oxazepineRefChem:437206896-515-021636-40-811-piperazin-1-yldibenzo[b,f][1,4]oxazepine6-piperazin-1-ylbenzo[b][1,4]benzoxazepine10-(PIPERAZIN-1-YL)-2-OXA-9-AZATRICYCLO[9.4.0.0(3),?]PENTADECA-1(11),3,5,7,9,12,14-HEPTAENE11-Piperazinyldibenz[b,f][1,4]oxazepineMFCD07636844Amoxapine Impurity 3SCHEMBL167601
Show more names
Amoxapine ImpurityAmoxapine Impurity 111-Piperazinyldibenz[b,f][1,4]oxazepine6-piperazin-1-ylbenzo[b][1,5]benzoxazepine11-(1-Piperazinyl)dibenz[b,f][1,4]oxazepine6-(1-piperazinyl)benzo[b][1,5]benzoxazepineDibenz[b,f][1,4]oxazepine, 11-(1-piperazinyl)-
orb3026203SCHEMBL29969899DTXSID60427658KVGUXITYUGRGRV-UHFFFAOYSA-NALBB-006056BBL010011STK500357AKOS005171617
Database identifiers
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 391
Physicochemical properties
- Melting point
- 128 · 128-130 °C
- Boiling point
- 438.578 · 438.578±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.27 · 1.27
- pka
- 8.619 · 8.619±0.10(predicted)
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Chemistry & industry
Applications
Uses11-(1-Piperazinyl)dibenz[b,f][1,4]oxazepine is a metabolite of Loxapine. It can be used for treatment of neuropsychiatric diseases.
Upstream & downstream products
Upstream raw materials
Suppliers8 total
济南百隆化学有限公司[email protected] · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
医恩医疗系统研发(上海)有限公司021-58958002 18930822973 · [email protected]
深圳博泰尔生物技术有限公司13316949107 13316968096 · [email protected]
重庆卡兰医药有限公司[email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
7 records
Compound notes
Loading…