Deanol Acetamidobenzoate
PubChem CID
19265
Structure
Molecular Formula
Synonyms
- Cervoxan
- DEANOL ACETAMIDOBENZOATE
- 3635-74-3
- Deaner
- Diforene
Molecular Weight
268.31 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Component Compounds
Dates
- Create:2005-03-26
- Modify:2025-01-18
Chemical Structure Depiction
Conformer generation is disallowed since mixture or salt
SVG Image
IUPAC Condensed
Ac-4Abz-OH.Me-Sar-ol
HELM
PEPTIDE1{[ac].[*Nc1ccc(cc1)C(=O)O |$_R1;;;;;;;;;;$|]}|PEPTIDE2{[CN(C)CCO]}$$$$
IUPAC
N-acetyl-4-aminobenzoic acid compound with N-methyl-sarcosinol
4-acetamidobenzoic acid;2-(dimethylamino)ethanol
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C9H9NO3.C4H11NO/c1-6(11)10-8-4-2-7(3-5-8)9(12)13;1-5(2)3-4-6/h2-5H,1H3,(H,10,11)(H,12,13);6H,3-4H2,1-2H3
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
XTWZHJXJIIUEJP-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
CC(=O)NC1=CC=C(C=C1)C(=O)O.CN(C)CCO
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C13H20N2O4
Computed by PubChem 2.2 (PubChem release 2024.11.20)
- Biminol
- deanol acetamidobenzoate
- Cervoxan
- DEANOL ACETAMIDOBENZOATE
- 3635-74-3
- Deaner
- Diforene
- Nervoton
- Elevan
- Deanol p-acetamidobenzoate
- DMAE p-acetamidobenzoate
- 2-(Dimethylamino)ethanol p-acetamidobenzoate
- 2-(Dimethylamino)ethanol p-acetylaminobenzoate
- UNII-JSQ17GL1CN
- JSQ17GL1CN
- EINECS 222-858-7
- NSC 97399
- 2-Dimethylaminoethanol p-acetamidobenzoate
- Ethanol, 2-(dimethylamino)-, 4-(acetylamino)benzoate (salt)
- NSC-97399
- Deanol 4-acetamidobenzoate
- 4-acetamidobenzoic acid;2-(dimethylamino)ethanol
- Pabenol
- Ethanol, 2-(dimethylamino)-, p-acetamidobenzoate (salt)
- DTXSID60189880
- 4-(Acetamido)benzoic acid, compound with 2-(dimethylamino)ethanol (1:1)
- Ethanol, 2-(dimethylamino)-, p-acetamidobenzoate
- DEANOL ACETAMIDOBENZOATE [MI]
- DEANOL ACETAMIDOBENZOATE [WHO-DD]
- DIMETHYLAMINOETHYL ACETAMIDOBENZOATE
- Biminol
- 4-(acetamido)benzoic acid, compound with 2-(dimethylamino)ethanol (1
- DEANOL ACETAMINOBENZOATE
- Bimanol (TN)
- Ethanol, p-acetamidobenzoate
- SCHEMBL37892
- DTXCID20112371
- NSC97399
- WLN: Q2N1&1 &OVR DMV1
- AKOS025296038
- NS00083085
- D07779
- Q27281679
- Benzoic acid, 4-(acetylamino)-, compd. with 2-(dimethylamino)ethanol (1:1) (9CI)
- Benzoic acid, p-acetamido-, compd. with 2-(dimethylamino)ethanol (1:1) (8CI)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
268.31 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
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
268.14230712 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
268.14230712 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
89.9 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
19
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
236
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
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
PubMed 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/Deanol acetamidobenzoatehttps://commonchemistry.cas.org/detail?cas_rn=3635-74-3
- ChemIDplusDeanol acetamidobenzoatehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0003635743ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
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- EPA DSSToxDeanol acetamidobenzoatehttps://comptox.epa.gov/dashboard/DTXSID60189880CompTox 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-notice4-(acetamido)benzoic acid, compound with 2-(dimethylamino)ethanol (1:1)https://echa.europa.eu/substance-information/-/substanceinfo/100.020.781
- 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#linkingDEANOL ACETAMIDOBENZOATEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/JSQ17GL1CN
- Comparative Toxicogenomics Database (CTD)LICENSEIt is to be used only for research and educational purposes. Any reproduction or use for commercial purpose is prohibited without the prior express written permission of NC State University.http://ctdbase.org/about/legal.jspdeanol acetamidobenzoatehttps://ctdbase.org/detail.go?type=chem&acc=C004777
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- Wikidatadeanol acetamidobenzoatehttps://www.wikidata.org/wiki/Q27281679
- PubChem
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- NCBI
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