Basic information
- CAS
617677-53-9- Standard SMILES
O=C(C1COc2ccccc2O1)N1CCN(C(=O)C2COc3ccccc3O2)CC1- InChIKey
RYWJYOGVNZEBKW-UHFFFAOYSA-N- Molecular formula
- C22H22N2O6
- Average molar mass
- 410.4 g/mol
- Monoisotopic mass
- 410.14778643
Names & identifiers
- Preferred name
- N,N'-Bis(1,4-benzodioxane-2-carbonyl)piperazine
- IUPAC
- [4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
- English name
- Doxazosin Related Compound F (15 mg) (N,N'-bis(1,4-benzodioxane-2-carbonyl)piperazine)
- Molecular formula
- C22H22N2O6
- Molecular weight
- 410.42
Names & synonyms
617677-53-9N,N'-BIS(1,4-BENZODIOXANE-2-CARBONYL)PIPERAZINEDoxazosin impurity CUNII-VDC41ZG9CPVDC41ZG9CP1,4-Bis(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazineDoxazosin mesilate impurity C [EP]Piperazine, 1,4-bis((2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl)-Methanone, 1,1'-(1,4-piperazinediyl)bis(1-(2,3-dihydro-1,4-benzodioxin-2-yl)-DOXAZOSIN MESILATE IMPURITY C [EP IMPURITY]DOXAZOSIN MESILATE IMPURITY C (EP IMPURITY)RefChem:201883
Show more names
JDS-Impurity CDoxazosin Related CoMpound FDoxazosin USP Related Compound FDoxazosin Mesilate EP Impurity C1,4-Bis(2,3-dihydro-1,4-benzodioxinDoxazosin EP Impurity C in salt formDoxazosin Impurity 3（Doxazosin EP Impurity C）
Doxazosin mesilate impurity C(+-)-N,N'-BIS(1,4-BENZODIOXANE-2-CARBONYL)PIPERAZINEDoxazosin EP Impurity C[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanonePiperazine-1,4-diylbis((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methanone)(+/-)-N,N'-Bis(1,4-benzodioxane-2-carbonyl)piperazineAKOS002707345AKOS016072024
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 583
Physicochemical properties
- Melting point
- 150 °C · > 150°C (Dec)
- Boiling point
- 646.9 · 646.9±55.0 °C(Predicted)
- Density
- 1.368 · 1.368±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), Dichloromethane (Slightly)
- pka
- -1.53 · -1.53±0.70(Predicted)
- form
- Solid
- color
- White to Pale Beige
- Major Application
- pharmaceutical (small molecule)
- InChI
- InChI=1S/C22H22N2O6/c25-21(19-13-27-15-5-1-3-7-17(15)29-19)23-9-11-24(12-10-23)22(26)20-14-28-16-6-2-4-8-18(16)30-20/h1-8,19-20H,9-14H2
- InChIKey
- RYWJYOGVNZEBKW-UHFFFAOYSA-N
- SMILES
- N1(C(C2COC3=CC=CC=C3O2)=O)CCN(C(C2COC3=CC=CC=C3O2)=O)CC1
- FDA UNII
- 41 ZG9CP · VDC41ZG9CP
- UNSPSC Code
- 41116107 · 41116107
- NACRES
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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.
Safety data
- wgk
- WGK 3
- hs_code
- 2934990002
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesN,N’-Bis(1,4-benzodioxane-2-carbonyl)piperazine (Doxazosin EP Impurity C) is an impurity in the synthesis of Doxazosin (D537500), a selective α1-adrenoceptor antagonist. Doxazosin relaxes smooth muscles of the prostate.
Suppliers51 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
天津始加生物医药科技有限公司15022261580 · [email protected]
上海策嵘生物科技有限公司[email protected]
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
深圳市简一生物科技有限公司0755-84826604 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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