Rizatriptan dimer
PubChem CID
57609764
Structure
Molecular Formula
Synonyms
- Rizatriptan dimer
- 887001-08-3
- Rizatriptan benzoate impurity A [EP]
- UNII-6O343F51WL
- 6O343F51WL
Molecular Weight
469.6 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2012-08-19
- Modify:2025-01-25
Chemical Structure Depiction
2-[5-[[3-[2-(dimethylamino)ethyl]-5-(1,2,4-triazol-1-ylmethyl)-1H-indol-2-yl]methyl]-1H-indol-3-yl]-N,N-dimethylethanamine
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C28H35N7/c1-33(2)11-9-22-16-30-26-7-5-20(13-24(22)26)15-28-23(10-12-34(3)4)25-14-21(6-8-27(25)32-28)17-35-19-29-18-31-35/h5-8,13-14,16,18-19,30,32H,9-12,15,17H2,1-4H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
WMKBUQPKAAJBHZ-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CN(C)CCC1=CNC2=C1C=C(C=C2)CC3=C(C4=C(N3)C=CC(=C4)CN5C=NC=N5)CCN(C)C
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C28H35N7
Computed by PubChem 2.2 (PubChem release 2021.10.14)
887001-08-3
- Rizatriptan dimer
- 887001-08-3
- Rizatriptan benzoate impurity A [EP]
- UNII-6O343F51WL
- 6O343F51WL
- Rizatriptan EP impurity A
- 1H-Indole-3-ethanamine, 2-((3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)methyl)-N,N-dimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-
- 2-(2-((3-(2-(Dimethylamino)ethyl)-1H-indol-5-yl)methyl)-5-(1H-1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl)-N,N-dimethylethanamine
- 2-[5-[[3-[2-(dimethylamino)ethyl]-5-(1,2,4-triazol-1-ylmethyl)-1H-indol-2-yl]methyl]-1H-indol-3-yl]-N,N-dimethylethanamine
- 2-[[3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl]methyl] Rizatriptan Dibenzoate
- 2-[[3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl]methyl]-N,N-dimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-1H-indole-3-ethanamine Dibenzoate; Rizatriptan Dimer Dibenzoate
- SCHEMBL5823123
- Q27265211
- RIZATRIPTAN BENZOATE IMPURITY A [EP IMPURITY]
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
469.6 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
4.4
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
10
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
469.29539415 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
469.29539415 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
68.8 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
35
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
657
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
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Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=WMKBUQPKAAJBHZ-UHFFFAOYSA-N
- ChemIDplusChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linkingRIZATRIPTAN DIMERhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/6O343F51WL
- Japan Chemical Substance Dictionary (Nikkaji)
- Wikidatarizatriptan dimerhttps://www.wikidata.org/wiki/Q27265211
- PubChem
- PATENTSCOPE (WIPO)SID 392284338https://pubchem.ncbi.nlm.nih.gov/substance/392284338
CONTENTS