Basic information
- CAS
102839-00-9- Standard SMILES
COc1cc2nc(N3CCN(c4nc(N)c5cc(OC)c(OC)cc5n4)CC3)nc(N)c2cc1OC- InChIKey
XJWKWPCORQUMQI-UHFFFAOYSA-N- Molecular formula
- C24H28N8O4
- Average molar mass
- 492.5 g/mol
- Monoisotopic mass
- 492.2233514
Names & identifiers
- Preferred name
- 1,4-Bis(4-amino-6,7-dimethoxy-2-quinazolinyl)piperazine
- IUPAC
- 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine
- English name
- 2,2'-(1,4-Piperazinediyl)bis[6,7-diMethoxy-4-quinazolinaMine]
- Molecular formula
- C24H28N8O4
- Molecular weight
- 492.53
Names & synonyms
102839-00-9Doxazosin impurity H2,2'-(Piperazine-1,4-diyl)bis(6,7-dimethoxyquinazolin-4-amine)1,4-Bis(4-amino-6,7-dimethoxy-2-quinazolinyl)piperazineUNII-GZ7F9EWD85GZ7F9EWD85Doxazosin mesilate impurity H [EP]4-Quinazolinamine, 2,2'-(1,4-piperazinediyl)bis(6,7-dimethoxy-DTXSID50145536DOXAZOSIN MESILATE IMPURITY H [EP IMPURITY]PRAZOSIN HYDROCHLORIDE IMPURITY E [EP IMPURITY]TERAZOSIN HYDROCHLORIDE DIHYDRATE IMPURITY E [EP IMPURITY]
Show more names
TCMDC 123865Terazosin-006Terazosin EP IMP ETerazosin Impurity9Doxazosin EP ImpurityPrazosin EP Impurity EDoxazosin mesylate impuritiesTerazosin USP Related Compound C
DOXAZOSIN MESILATE IMPURITY H (EP IMPURITY)PRAZOSIN HYDROCHLORIDE IMPURITY E (EP IMPURITY)TERAZOSIN HYDROCHLORIDE DIHYDRATE IMPURITY E (EP IMPURITY)RefChem:73128Doxazosin mesilate impurity HDTXCID5068027Terazosin EP Impurity E2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 658
Physicochemical properties
- Melting point
- 254 °C · >254°C (dec.)
- Boiling point
- 784.7 · 784.7±70.0 °C(Predicted)
- Density
- 1.373 · 1.373±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Amber Vial, -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Vey Slightly, Heated), Methanol (Very Slightly, Heated)
- pka
- 6.82 · 6.82±0.50(Predicted)
- color
- White to Light Yellow
- Stability
- Light Sensitive
- Major Application
- pharmaceutical (small molecule)
- InChIKey
- XJWKWPCORQUMQI-UHFFFAOYSA-N
- SMILES
- N3(CCN(CC3)c4nc5c(c(n4)N)cc(c(c5)OC)OC)c1nc2c(c(n1)N)cc(c(c2)OC)OC
- FDA UNII
- 7 F9EWD85 · GZ7F9EWD85
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 8 · GHS08
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 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P264, P270, P280, P301+P317, P318, P319, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H361-H373
- Precautionary statements
- P201-P202-P281-P308+P313-P405-P501-P260-P314-P501
Chemistry & industry
Applications
Uses2,2''-(1,4-Piperazinediyl)bis[6,7-dimethoxy-4-quinazolinamine] (Terazosin EP Impurity E) is an impurity of selective alpha 1 antagonists: Terazosin (T105000) and Prazosin (P702325).
Suppliers57 total
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]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
江苏南创化学与生命健康研究院有限公司15720605021 · [email protected]
深圳市简一生物科技有限公司0755-84826604 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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