Rizatriptan Sulfate
PubChem CID
19610426
Structure
Molecular Formula
Synonyms
- Rizatriptan sulfate
- rizatriptan sulfate hydrate
- Rizatriptan sulphate
- MK-A462
- Rizatriptan sulfate [USAN]
Molecular Weight
654.8 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Parent Compound
Component Compounds
Dates
- Create:2007-12-05
- Modify:2025-01-18
Chemical Structure Depiction
3D Conformer of Parent
N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;sulfuric acid;hydrate
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/2C15H19N5.H2O4S.H2O/c2*1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20;1-5(2,3)4;/h2*3-4,7-8,10-11,17H,5-6,9H2,1-2H3;(H2,1,2,3,4);1H2
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
SMWLLNMVQNVPLD-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
CN(C)CCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3.CN(C)CCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3.O.OS(=O)(=O)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C30H42N10O5S
Computed by PubChem 2.2 (PubChem release 2024.11.20)
159776-67-7
153764-00-2
- Rizatriptan sulfate
- rizatriptan sulfate hydrate
- Rizatriptan sulphate
- MK-A462
- Rizatriptan sulfate [USAN]
- 159776-67-7
- UNII-13RRH2218G
- 13RRH2218G
- Rizatriptan sulfate (USAN)
- RIZATRIPTAN SULFATE [WHO-DD]
- RIZATRIPTAN HEMISULFATE HEMIHYDRATE
- 1H-Indole-3-ethanamine, N,N-dimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-, sulfate (2:1), monohydrate
- 1H-Indole-3-ethanamine, N,N-dimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-, monosulfate
- N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;sulfuric acid;hydrate
- 1H-INDOLE-3-ETHANAMINE, N,N-DIMETHYL-5-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-, SULFATE, HYDRATE (2:1:1)
- 3-(2-(Dimethylamino)ethyl)-5-(1H-1,2,4-triazol-1-ylmethyl)indole sulfate (2:1), monohydrate
- 3-[2-(Dimethylamino)ethyl]-5-(1H-1,2,4-triazol-1-ylmethyl)indole sulfate (2:1), monohydrate
- CHEMBL3989629
- D05740
- Q27251541
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
654.8 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
11
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
10
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
654.30603565 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
654.30603565 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
183 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
46
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
390
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
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
4
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Gene Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=SMWLLNMVQNVPLD-UHFFFAOYSA-N
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.html
- ChemIDplusRizatriptan sulfate [USAN]https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0159776677ChemIDplus 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 SULFATEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/13RRH2218G
- KEGGLICENSEAcademic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial licensehttps://www.kegg.jp/kegg/legal.htmlAnatomical Therapeutic Chemical (ATC) classificationhttp://www.genome.jp/kegg-bin/get_htext?br08303.kegTarget-based classification of drugshttp://www.genome.jp/kegg-bin/get_htext?br08310.keg
- NCI Thesaurus (NCIt)LICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuseNCI Thesaurushttps://ncit.nci.nih.gov
- Wikidatarizatriptan sulfate hydratehttps://www.wikidata.org/wiki/Q27251541
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 389258000https://pubchem.ncbi.nlm.nih.gov/substance/389258000
CONTENTS