Sulpiride adamantanecarboxylate
PubChem CID
3085079
Structure
Molecular Formula
Synonyms
- Sulpiride adamantanecarboxylate
- EINECS 259-547-0
- UNII-7Y6465K6YE
- 7Y6465K6YE
- 55247-89-7
Molecular Weight
521.7 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Component Compounds
Dates
- Create:2005-08-09
- Modify:2025-01-18
Chemical Structure Depiction
Conformer generation is disallowed since mixture or salt
adamantane-1-carboxylic acid;N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C15H23N3O4S.C11H16O2/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2;12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21);7-9H,1-6H2,(H,12,13)
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
MDJRIKWBMSTOKD-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC.C1C2CC3CC1CC(C2)(C3)C(=O)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C26H39N3O6S
Computed by PubChem 2.2 (PubChem release 2024.11.20)
- Sulpiride adamantanecarboxylate
- EINECS 259-547-0
- UNII-7Y6465K6YE
- 7Y6465K6YE
- 55247-89-7
- Tricyclo(3.3.1.13,7)decane-1-carboxylic acid, compound with 5-(aminosulphonyl)-N-((1-ethylpyrrolidin-2-yl)methyl)-2-methoxybenzamide(1:1)
- SCHEMBL4309729
- DTXSID20970579
- SULPIRIDE ADAMANTANECARBOXYLATE [WHO-DD]
- Q27269010
- Adamantane-1-carboxylic acid--N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzene-1-carboximidic acid (1/1)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
521.7 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
8
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
7
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
521.25595715 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
521.25595715 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
147 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
36
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
721
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
1
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
2
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
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Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, compd. with 5-(aminosulfonyl)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxybenzamide (1:1)https://commonchemistry.cas.org/detail?cas_rn=55247-89-7
- ChemIDplusSulpiride adamantanecarboxylatehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0055247897ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSToxAdamantane-1-carboxylic acid--N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzene-1-carboximidic acid (1/1)https://comptox.epa.gov/dashboard/DTXSID20970579CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- European Chemicals Agency (ECHA)LICENSEUse of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.https://echa.europa.eu/web/guest/legal-noticeTricyclo[3.3.1.13,7]decane-1-carboxylic acid, compound with 5-(aminosulphonyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide (1:1)https://echa.europa.eu/substance-information/-/substanceinfo/100.054.115
- 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#linkingSULPIRIDE ADAMANTANECARBOXYLATEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/7Y6465K6YE
- EU Clinical Trials Register
- Wikidatasulpiride adamantanecarboxylatehttps://www.wikidata.org/wiki/Q27269010
- PubChem
- NCBI
CONTENTS