Basic information
- CAS
170911-68-9- Standard SMILES
Cl.N#Cc1ccc(N2CCN(C(=O)COc3ccc4[nH]cc(CCN)c4c3)CC2)cc1- InChIKey
ZXENQGQAPOYDOJ-UHFFFAOYSA-N- Molecular formula
- C23H26ClN5O2
- Average molar mass
- 439.9 g/mol
- Monoisotopic mass
- 439.1775028
Names & identifiers
- Preferred name
- F 11356
- IUPAC
- 4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile;hydrochloride
- English name
- Donitriptan
- Molecular formula
- C23H25ClN5O2
- Molecular weight
- 438.9299
Names & synonyms
F 11356DTXSID60168973RefChem:921434DTXCID7091464Donitriptan hydrochloride170911-68-9Donitriptan monohydrochloride4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile hydrochlorideDonitriptan (hydrochloride)XTD13T14MR4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile;hydrochloride4-(4-(2-((3-(2-Aminoethyl)-1H-indol-5-yl)oxy)acetyl)piperazin-1-yl)benzonitrile hydrochloride
Show more names
F11356Donitriptan hydrochloride, 10 mM in DMSO
F-11356F-12640UNII-XTD13T14MRDonitriptan HClMLS006010683orb1306246MFCD09027358AKOS024457738
Database identifiers
- CAS
170911-68-9- PubChem CID
- 197705
- DTXSID
DTXSID60168973- UNII
- XTD13T14MR
- EC Number
Properties
Computed structural properties
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 618
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- solubility
- 2 O: · H2O: >20mg/mL
- form
- Powder
- color
- white to off-white
- FDA UNII
- 13 T14MR · XTD13T14MR
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H312-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P301+P310-P305+P351+P338
- Hazard Codes
- T
- Risk Statements
- 20 · 20/21-25-36/37/38
- Safety Statements
- 26 · 26-36/37-45
- RIDADR
- 3439 · UN 3439 6.1 / PGIII
- WGK Germany
- 3 · 3
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 3439 6.1 / PGIII
- risk_code
- 20/21-25-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 26-36/37-45
- Hazard statements
- H301-H312-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P301+P310-P305+P351+P338
Chemistry & industry
Applications
UsesA novel 5-hydroxytryptamine (5-HT) derivative with potent, selective, and unique high intrinsic activity at 5-HT1B/1D receptors in models relevant to migraine. An antimigraine agent.
Suppliers20 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
上海肯恩化学科技有限公司13120367189;18621755571 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
上海臻励生物科技有限公司021-16621358918; 18516310516;16621358918;13045646768 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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