Basic information
- CAS
260435-42-5- Standard SMILES
C[N+](C)([O-])CCc1c[nH]c2ccc(Cn3cncn3)cc12- InChIKey
DQTBNOJGXNZYDG-UHFFFAOYSA-N- Molecular formula
- C15H19N5O
- Average molar mass
- 285.34 g/mol
- Monoisotopic mass
- 285.15896025
Names & identifiers
- Preferred name
- Rizatriptan N-oxide
- IUPAC
- N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine oxide
- English name
- Rizatriptan N10-Oxide
- Molecular formula
- C15H19N5O
- Molecular weight
- 285.34
Names & synonyms
Rizatriptan N-oxide260435-42-5UNII-YNT22B2U4TYNT22B2U4TRizatriptan benzoate impurity H [EP]1H-Indole-3-ethanamine, N,N-dimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-, N-oxideN,N-Dimethyl-2-(5-(1H-1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl)ethanamine N-oxideDTXSID60180690RIZATRIPTAN BENZOATE IMPURITY H [EP IMPURITY]RIZATRIPTAN BENZOATE IMPURITY H (EP IMPURITY)RefChem:179548Rizatriptan benzoate impurity H
Show more names
Rizatriptan N-oxide HClRizatriptan EP Impurity8Rizatriptan N-oxide imp-HRizatriptan nitrogen oxidesRizatriptan N-Oxide ImpurityRIZATRIPTAN N-OXIDE (IMPURITY H)Rizatriptan Benzoate EP Impurity H
DTXCID00103181Rizatriptan N10-OxideRizatriptan N10-Oxide-d6Rizatriptan EP Impurity H1261392-57-7N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine Oxide2-(5-((1H-1,2,4-triazol-1-yl)methyl)-1H-indol-3-yl)-N,N-dimethylethanamine oxideRizatriptan Benzoate Imp. H (EP); 1H-Indole-3-ethanamine, N,N-dimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-, N-oxide; N,N-Dimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-1H-indole-3-ethanamine N-oxide; Rizatriptan N-Oxide; Rizatriptan Benzoate Impurity H
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 351
Physicochemical properties
- Melting point
- 153 · 153-156°C (dec.)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under Inert Atmosphere
- solubility
- Methanol (Slightly)
- form
- Solid
- pka
- 16 · 16+-.0.30(Predicted)
- color
- Off-White to Pale Yellow
- Major Application
- pharmaceutical small molecule
- InChI
- 1S/C15H19N5O/c1-20(2,21)6-5-13-8-17-15-4-3-12(7-14(13)15)9-19-11-16-10-18-19/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3
- InChIKey
- DQTBNOJGXNZYDG-UHFFFAOYSA-N
- SMILES
- [N](=O)(CCc1c2c([nH]c1)ccc(c2)C[n]3ncnc3)(C)C
- FDA UNII
- 22 B2U4T · YNT22B2U4T
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Danger
- Hazard statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H360
- Precautionary statements
- P201-P202-P280-P308+P313-P405-P501
Chemistry & industry
Applications
UsesRizatriptan N10-Oxide (Rizatriptan EP Impurity H) is a metabolite of Rizatriptan (R545000).
Suppliers53 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]
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]
孟成科技（上海）有限公司400-820-6829 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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