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computed by PubChem. This structure may or may not be the same as the
inherent structure of the compound you would expect to see in vacuum or in
the gas phase, because the underlying computational algorithm aims to
generate a protein-bound structure, which would be observed in a
protein-ligand complex. More detailed information on this conformer model
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computes two kinds of SMILES strings for compounds: canonical SMILES
(computed from chemical structures devoid of isotopic and stereochemical
information), and isomeric SMILES (computed from chemical structures
containing isotopic and stereochemical information). This section shows the
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compound, using a single line of chemical element symbols and numbers.
PubChem uses the Hill system, whereby the number of carbon atoms in a
molecule is indicated first, the number of hydrogen atoms second, and then
the number of all other chemical elements in alphabetical order. When the
formula contains no carbon, all the elements, including hydrogen, are listed
alphabetically. Sources other than PubChem may include a variant of the
formula that is more structural or natural to chemists, for example, H2SO4
for sulfuric acid, rather than the Hill version H2O4S.",
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description "A CAS Registry Number (also called CAS RN or CAS
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Service (CAS) division of the American Chemical Society (ACS). It is a
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tT tOCHeading "UNII",
description "UNique Ingredient Identifier (UNII) code for this
chemical. It is a non-proprietary registry number assigned by the U.S. Food
and Drug Administration (FDA).",
uRL "https://www.fda.gov/industry/fda-data-standards-advisory-bo
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entities focused on 'small' chemical compounds used by the Chemical Entities
of Biological Interest (ChEBI)",
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tT tOCHeading "Synonyms",
description "Alternative names for this PubChem Compound record. A
compound can have many different names. For example, acetone (CH3C(=O)CH3)
is also known as propanone, propan-2-one, or dimethyl ketone. The brand name
of a product is commonly used to indicate the primary chemical ingredient(s)
in the product (e.g., Tylenol, a common pain killer, is often used for
acetaminophen, its active ingredient). Another example of common synonyms is
record identifiers used in different data collections, such as Chemical
Abstract Service (CAS) registry numbers, FDA UNII (Unique Ingredient
Identifiers), and many others. All these various names and identifiers that
designate this compound are organized under the Synonyms section.",
section {
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matching this PubChem Compound record. The matching between the MeSH and
compound records is performed by name matching (i.e., identical common
names), as described in Kim et al., J. Cheminform., 2016, 8, 32.",
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string "Gallobeta"
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{
string "Gallopamil"
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{
string "Gallopamil Hydrochloride"
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string "Hydrochloride, Gallopamil"
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string "Galopamilo"
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string "Galopamilo [INN-Spanish]"
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string "Gallopamillum [INN-Latin]"
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string "D 600"
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string "CHEBI:34772"
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string "Gallopamil (INN)"
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{
string "Benzeneacetonitrile,
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alpha-(1-methylethyl)-"
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{
string "GALLOPAMIL [INN]"
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{
string "5-((3,4-Dimethoxyphenethyl)methylamino)-2-isop
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{
string "5-[(3,4-Dimethoxyphenethyl)methylamino]-2-isop
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{
string "Benzeneacetonitrile,
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{
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{
string "C28H40N2O5"
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{
string "NCGC00015686-05"
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string "UNII-39WPC8JHR8"
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{
string "GALLO?"
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{
string "GALLOPAMIL [MI]"
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{
string "GALLOPAMIL [WHO-DD]"
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{
string "Lopac0_000778"
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{
string "SCHEMBL49428"
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{
string "BSPBio_001383"
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string "KBioGR_000103"
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{
string "KBioSS_000103"
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{
string "CHEMBL51149"
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{
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string "HMS1989F05"
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{
string ".ALPHA.-(3-((2-(3,4-DIMETHOXYPHENYL)ETHYL)METH
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tT tOCHeading "Removed Synonyms",
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identifiers provided by PubChem Substance records for the same chemical
structure that were removed by name/structure consistency filtering.",
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PubChem do not endorse any of the vendors. Each vendor may have multiple
products containing the same chemical, but different in various aspects, such
as amount and purity. For each product, the external identifier used to
locate the product on the vendor's website is provided under the Purchasable
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website. The information on the product provided by the vendor to PubChem
can be accessed at the Summary page of the corresponding PubChem Substance ID
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mechanism of action, biological half-life, biochemical reactions, and many
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the organ or system on which they act and/or their therapeutic and chemical
characteristics. Each bottom-level ATC code stands for a pharmaceutically
used substance, or a combination of substances, in a single indication (or
use). This means that one drug can have more than one code: acetylsalicylic
acid (aspirin), for example, has A01AD05 as a drug for local oral treatment,
B01AC06 as a platelet inhibitor, and N02BA01 as an analgesic and antipyretic.
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description "Disorders and diseases associated with the compound. The
contexts of the associations listed in this section vary. For example, a
compound may cause its associated diseases (e.g., carcinogens and cancers) or
have a therapeutic effect in treatment of the diseases (e.g., antihistamines
and allergies), or be used as a marker/indicator for the diseases (e.g.,
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chemical-literature associations in this section are provided by data
contributors or derived from MeSH annotations, as explained in Kim et al., J.
Cheminform. 2016, 8, 32. This section also provides the lists of chemicals,
genes/proteins, and diseases, that are co-mentioned in scientific articles,
as described in Zaslavsky et al., Front. Res. Metr. Anal., 2021, 6, 689059.",
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adapted to chemical structures, (2) location information in the text (e.g.
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a co-occurring gene entity is organism non-specific and could refer to a
gene, protein, or enzyme. Also note that this content is not human curated.
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co-occurrence may be happenstance or a casual mention. The lists are ordered
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interactions of this compound with drugs, genes, proteins, etc., as well as
the pathways in which this compound is involved.",
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interactions occur when two or more drugs react with each other. This
drug-drug interaction may cause you to experience an unexpected side effect.
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you take for allergies (an antihistamine) can slow your reactions and make
driving a car or operating machinery dangerous.",
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biological test results from the PubChem BioAssay database, if/as available,
for the chemical structure currently displayed. You can embed biological test
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copyright protection in the United States. Any such works found on National
Library of Medicine (NLM) Web sites may be freely used or reproduced without
permission in the U.S.",
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Therapeutic Chemical (ATC) classification system, the active substances are
divided into different groups according to the organ or system on which they
act and their therapeutic, pharmacological and chemical properties.",
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's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL
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Unported License (http://creativecommons.org/licenses/by-sa/3.0/).",
licenseURL "http://www.ebi.ac.uk/Information/termsofuse.html"
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free of copyright and may be reused without our permission. Credit the
National Cancer Institute as the source.",
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Library of Medicine (NLM) Web sites may be freely used or reproduced without
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Our mission is to lead the development of a balanced and effective
international Intellectual Property (IP) system that enables innovation and
creativity for the benefit of all. We help governments, businesses and
society realize the benefits of Intellectual Property and are notably a world
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