U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula H2O
Molecular Weight 18.0153
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of WATER

SMILES

O

InChI

InChIKey=XLYOFNOQVPJJNP-UHFFFAOYSA-N
InChI=1S/H2O/h1H2

HIDE SMILES / InChI
Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description
Curator's Comment: description was created based on several sources, including https://pubchem.ncbi.nlm.nih.gov/compound/sodium_ion | https://www.ncbi.nlm.nih.gov/pubmed/5107832 | https://www.drugs.com/pro/kayexalate.html | https://www.ncbi.nlm.nih.gov/pubmed/2907018

Sodium is the primary cation (positive ion) in extracellular fluids in animals and humans. Sodium ions are necessary for regulation of blood and body fluids, transmission of nerve impulses, heart activity, and certain metabolic functions. Physiologically, it exists as an ion in the body. Sodium is needed by animals, which maintain high concentrations in their blood and extracellular fluids, but the ion is not needed by plants. The human requirement for sodium in the diet is less than 500 mg per day, which is typically less than a tenth as much as many diets "seasoned to taste. " Most people consume far more sodium than is physiologically needed. For certain people with salt-sensitive blood pressure, this extra intake may cause a negative effect on health.

CNS Activity

Originator

Approval Year

1921
1467
Targets

Targets

Primary TargetPharmacologyConditionPotency
Substrate
661
Substrate
661
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Approved
8429
POTASSIUM HYDROXIDE

Approved Use

Used as a softener for nail grooves. Also used as a slide medium in Potassium Hydroxide preparations. Apply to nail in office.

Launch Date

1.27915196E12
Primary
Phase II
1132
Unknown

Approved Use

Unknown
Primary
Phase III
656
Unknown

Approved Use

Unknown
Primary
Phase II
1132
Unknown

Approved Use

Unknown
Primary
Approved
8429
Kayexalate

Approved Use

INDICATION AND USAGE Kayexalate is indicated for the treatment of hyperkalemia.

Launch Date

-3.65299204E11
PubMed

PubMed

TitleDatePubMed
Delayed cystitis due to cyclophosphamide.
1979 Jan 4
Age sensitivity to organophosphate-induced delayed polyneuropathy. Biochemical and toxicological studies in developing chicks.
1991 May 15
A point mutation at cysteine 189 blocks the water permeability of rat kidney water channel CHIP28k.
1993 Mar 30
Molecular characterization of an aquaporin cDNA from brain: candidate osmoreceptor and regulator of water balance.
1994 Dec 20
Cholangiocytes express the aquaporin CHIP and transport water via a channel-mediated mechanism.
1994 Dec 20
Determination of the mechanism of free radical generation in human aortic endothelial cells exposed to anoxia and reoxygenation.
1994 Sep 30
Cloning and functional expression of a new water channel abundantly expressed in the testis permeable to water, glycerol, and urea.
1997 Aug 15
One-electron reduction of chromium(VI) by alpha-lipoic acid and related hydroxyl radical generation, dG hydroxylation and nuclear transcription factor-kappaB activation.
1997 Feb 15
Induction of aquaporin 3 by corticosteroid in a human airway epithelial cell line.
1997 Nov
Reactive oxygen species regulate macrophage scavenger receptor type I, but not type II, in the human monocytic cell line THP-1.
1998 Jun
Cloning and functional expression of rAOP9L a new member of aquaporin family from rat liver.
1999 Feb
Aquaporin-1 is expressed by vascular smooth muscle cells and mediates rapid water transport across vascular cell membranes.
1999 Sep-Oct
Role of aquaporin water channels in pleural fluid dynamics.
2000 Dec
Neurokinin 1 and 2 receptors mediate cholera toxin secretion in rat jejunum.
2000 Oct
Cloning and functional expression of an MIP (AQP0) homolog from killifish (Fundulus heteroclitus) lens.
2001 Dec
Erythrocyte water permeability and renal function in double knockout mice lacking aquaporin-1 and aquaporin-3.
2001 Jan 5
Reduced nephrotoxicity of conventional amphotericin B therapy after minimal nephroprotective measures: animal experiments and clinical study.
2002 Aug 1
Overexpression of copper zinc superoxide dismutase suppresses human glioma cell growth.
2002 Feb 15
NKCC activity restores muscle water during hyperosmotic challenge independent of insulin, ERK, and p38 MAPK.
2003 Mar
Synergistic effects of cystic fibrosis transmembrane conductance regulator and aquaporin-9 in the rat epididymis.
2003 May
[Water permeability of the OMCD and IMCD cells' basolateral membrane under the conditions of dehydration and dDAVP action].
2004 Jul
Biochemistry. Water photolysis in biology.
2004 Mar 19
Molecular and functional characterization of a vasotocin-sensitive aquaporin water channel in quail kidney.
2004 Oct
Reversible silencing of CFTR chloride channels by glutathionylation.
2005 Feb
Effect of dioxane on the structure and hydration-dehydration of alpha-chymotrypsin as measured by FTIR spectroscopy.
2005 Jun 15
The mineralocorticoid receptor: a journey exploring its diversity and specificity of action.
2005 Sep
Cloning and characterization of porcine aquaporin 1 water channel expressed extensively in gastrointestinal system.
2006 Feb 21
The renal medullary endothelin system in control of sodium and water excretion and systemic blood pressure.
2006 Jan
The story of the discovery of aquaporins: convergent evolution of ideas--but who got there first?
2006 Oct 30
Osmotic water permeability of rat intestinal brush border membrane vesicles: involvement of aquaporin-7 and aquaporin-8 and effect of metal ions.
2007 Dec
Gill membrane remodeling with soft-water acclimation in zebrafish (Danio rerio).
2007 Jun 19
Two distinct aquaporin-4 cDNAs isolated from medullary cone of quail kidney.
2007 May
A stable and sensitive testing system for potential carcinogens based on DNA damage-induced gene expression in human HepG2 cell.
2009 Feb
Tobramycin-induced aquagenic wrinkling of the palms in a patient with cystic fibrosis.
2009 Jul
Evidence for the involvement of aquaporins in sperm motility activation of the teleost gilthead sea bream (Sparus aurata).
2009 Nov
Expression and functional characterization of four aquaporin water channels from the European eel (Anguilla anguilla).
2009 Sep 1
Molecular mechanisms of how mercury inhibits water permeation through aquaporin-1: understanding by molecular dynamics simulation.
2010 Apr 21
Aquaporins in the human testis and spermatozoa - identification, involvement in sperm volume regulation and clinical relevance.
2010 Aug 1
Beneficial effect of agmatine on brain apoptosis, astrogliosis, and edema after rat transient cerebral ischemia.
2010 Sep 6
Hippocampal betaine/GABA transporter mRNA expression is not regulated by inflammation or dehydration post-status epilepticus.
2011 Apr
Testosterone modulates pituitary vasotocin receptor expression and adrenal activity in osmotically stressed chicken.
2011 Jan
Endothelins decrease the expression of aquaporins and plasma membrane water permeability in cultured rat astrocytes.
2011 Mar
Identification and characterization of functional aquaporin water channel protein from alimentary tract of whitefly, Bemisia tabaci.
2011 Mar
Water permeability and characterization of aquaporin-11.
2011 May
Inhibition of aquaporin-3 water channel in the colon induces diarrhea.
2012
Enhanced expression of heme oxygenase-1 and carbon monoxide excitatory effects in oxytocin and vasopressin neurones during water deprivation.
2012 Apr
Estrogen prevents increased hepatic aquaporin-9 expression and glycerol uptake during starvation.
2012 Feb 1
Effects of flavored mineral waters on AhR-CYP1A1 signaling pathway in primary human hepatocytes and in human hepatic and intestinal cancer cells.
2012 Jun
Investigation of the binding pocket of human hematopoietic prostaglandin (PG) D2 synthase (hH-PGDS): a tale of two waters.
2012 Jun 1
A novel aquaporin 3 in killifish (Fundulus heteroclitus) is not an arsenic channel.
2012 May
Patents

Patents

03930837
22
03931170
10
03931193
12
03931205
82
03931226
16
03931231
17
03931247
15
03932424
12
03932446
10
03932452
10
03932471
13
03932472
94
03932521
29
03932629
11
03933865
12
03933905
18
03933911
10
03934070
10
03937702
41
03937705
11
03937719
10
03937729
10
03937764
10
03939157
10
03939202
15
03940396
10
03940419
12
03941796
50
03941799
14
03941884
10
03943145
12
03943170
10
03943180
12
03946000
40
03946045
11
03947406
32
03947408
15
03947580
12
03950331
20
03950382
10
03950420
10
03950425
13
03952012
15
03952017
13
03952050
12
03952067
11
03953434
43
03953525
11
03953596
12
03954476
17
03954774
11
03954801
15
03956118
10
03956321
10
03959289
11
03970704
12
04002647
12
04008269
12
04029867
10
04128728
11
04134924
10
04136188
10
04511731
10
04532240
10
04568497
11
04691042
10
04826533
11
04844879
10
05187175
10
05302718
13
05403930
11
05527805
11
05556855
13
05607951
10
05658926
10
06156430
10
06649600
13
06703082
10
07250518
10
07354941
35
07494728
11
07655666
10
08012988
10
08436001
13
08481733
14
08501238
10
08513268
10
08614206
10
08669361
12
08741915
12
20030186989
11
20080153836
11
20090120802
11
20090286768
10
20100144747
11
20110251176
10
20110294818
10
20120208817
10
20130079321
10
20130203732
10
20130217666
10
7820025
11

Sample Use Guides

In Vivo Use Guide
10% Potassium Hydroxide
Route of Administration: Topical
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:48:33 UTC 2023
Edited
by admin
on Fri Dec 15 15:48:33 UTC 2023
Record UNII
059QF0KO0R
Record Status Validated (UNII)
Record Version
  • Download
Related Record Type
Name Type Language
WATER
INCI   MI   VANDF   WHO-DD  
INCI  
Official Name English
Water [WHO-DD]
Common Name English
NSC-147337
Code English
STERILE WATER
Common Name English
ULTREX II ULTRAPURE
Common Name English
HYDROGEN OXIDE (H2O)
Systematic Name English
WATER [INCI]
Common Name English
WATER [JAN]
Common Name English
AQUA
INCI  
INCI  
Official Name English
WATER [VANDF]
Common Name English
WATER [MI]
Common Name English
AQUAFINA
Common Name English
WATER/EAU/AQUA
Common Name English
PURIFIED WATER [MART.]
Common Name English
B1217 [LANGUAL]
Code English
R-718
Code English
AQUA [INCI]
Common Name English
Classification Tree Code System Code
DSLD 1013 (Number of products:234)
Created by admin on Fri Dec 15 15:48:33 UTC 2023 , Edited by admin on Fri Dec 15 15:48:33 UTC 2023
Food Contact Sustance Notif, (FCN No.) FCN NO. 1089
Created by admin on Fri Dec 15 15:48:33 UTC 2023 , Edited by admin on Fri Dec 15 15:48:33 UTC 2023
Food Contact Sustance Notif, (FCN No.) FCN NO. 1081
Created by admin on Fri Dec 15 15:48:33 UTC 2023 , Edited by admin on Fri Dec 15 15:48:33 UTC 2023
Food Contact Sustance Notif, (FCN No.) FCN NO. 1236
Created by admin on Fri Dec 15 15:48:33 UTC 2023 , Edited by admin on Fri Dec 15 15:48:33 UTC 2023
Food Contact Sustance Notif, (FCN No.) FCN NO. 1096
Created by admin on Fri Dec 15 15:48:33 UTC 2023 , Edited by admin on Fri Dec 15 15:48:33 UTC 2023
LOINC 59016-6
Created by admin on Fri Dec 15 15:48:33 UTC 2023 , Edited by admin on Fri Dec 15 15:48:33 UTC 2023
Food Contact Sustance Notif, (FCN No.) FCN NO. 1082
Created by admin on Fri Dec 15 15:48:33 UTC 2023 , Edited by admin on Fri Dec 15 15:48:33 UTC 2023
Code System Code Type Description
PUBCHEM
962
Created by admin on Fri Dec 15 15:48:33 UTC 2023 , Edited by admin on Fri Dec 15 15:48:33 UTC 2023
PRIMARY
CAS
7732-18-5
Created by admin on Fri Dec 15 15:48:33 UTC 2023 , Edited by admin on Fri Dec 15 15:48:33 UTC 2023
PRIMARY
MESH
D014867
Created by admin on Fri Dec 15 15:48:33 UTC 2023 , Edited by admin on Fri Dec 15 15:48:33 UTC 2023
PRIMARY
ECHA (EC/EINECS)
231-791-2
Created by admin on Fri Dec 15 15:48:33 UTC 2023 , Edited by admin on Fri Dec 15 15:48:33 UTC 2023
PRIMARY
EVMPD
SUB15717MIG
Created by admin on Fri Dec 15 15:48:33 UTC 2023 , Edited by admin on Fri Dec 15 15:48:33 UTC 2023
PRIMARY
SMS_ID
100000085825
Created by admin on Fri Dec 15 15:48:33 UTC 2023 , Edited by admin on Fri Dec 15 15:48:33 UTC 2023
PRIMARY
FDA UNII
059QF0KO0R
Created by admin on Fri Dec 15 15:48:33 UTC 2023 , Edited by admin on Fri Dec 15 15:48:33 UTC 2023
PRIMARY
DAILYMED
059QF0KO0R
Created by admin on Fri Dec 15 15:48:33 UTC 2023 , Edited by admin on Fri Dec 15 15:48:33 UTC 2023
PRIMARY
NCI_THESAURUS
C65147
Created by admin on Fri Dec 15 15:48:33 UTC 2023 , Edited by admin on Fri Dec 15 15:48:33 UTC 2023
PRIMARY
ChEMBL
CHEMBL1098659
Created by admin on Fri Dec 15 15:48:33 UTC 2023 , Edited by admin on Fri Dec 15 15:48:33 UTC 2023
PRIMARY
MERCK INDEX
m11507
Created by admin on Fri Dec 15 15:48:33 UTC 2023 , Edited by admin on Fri Dec 15 15:48:33 UTC 2023
PRIMARY Merck Index
NSC
147337
Created by admin on Fri Dec 15 15:48:33 UTC 2023 , Edited by admin on Fri Dec 15 15:48:33 UTC 2023
PRIMARY
CHEBI
15377
Created by admin on Fri Dec 15 15:48:33 UTC 2023 , Edited by admin on Fri Dec 15 15:48:33 UTC 2023
PRIMARY
RXCUI
11295
Created by admin on Fri Dec 15 15:48:33 UTC 2023 , Edited by admin on Fri Dec 15 15:48:33 UTC 2023
PRIMARY
DRUG BANK
DB09145
Created by admin on Fri Dec 15 15:48:33 UTC 2023 , Edited by admin on Fri Dec 15 15:48:33 UTC 2023
PRIMARY
EVMPD
SUB29180
Created by admin on Fri Dec 15 15:48:33 UTC 2023 , Edited by admin on Fri Dec 15 15:48:33 UTC 2023
PRIMARY
Related Record Type Details
STERILE PURIFIED WATER
SUB_CONCEPT->SUBSTANCE
STERILE WATER FOR IRRIGATION
SUB_CONCEPT->SUBSTANCE
AQUA WILDBAD
SUB_CONCEPT->SUBSTANCE
STERILE WATER FOR INHALATION
SUB_CONCEPT->SUBSTANCE
AQUA WIESBADEN
SUB_CONCEPT->SUBSTANCE
WATER FOR INJECTION
SUB_CONCEPT->SUBSTANCE
PURIFIED WATER
SUB_CONCEPT->SUBSTANCE
STERILE WATER FOR INJECTION
SUB_CONCEPT->SUBSTANCE
WATER FOR HEMODIALYSIS
SUB_CONCEPT->SUBSTANCE
BACTERIOSTATIC WATER FOR INJECTION
SUB_CONCEPT->SUBSTANCE
ADELHEIDSQUELLE
SUB_CONCEPT->SUBSTANCE
Related Record Type Details
Structure of STAVUDINE
PARENT -> IMPURITY
Water (2.5.12): maximum 0.5 per cent, determined on 0.500 g.
EP
Structure of SAQUINAVIR MESYLATE
PARENT -> IMPURITY
Water: maximum 1.0 per cent, determined on 0.250 g.
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Related Record Type Details
Structure of WATER
ACTIVE MOIETY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
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