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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
1468
Targets

Targets

Primary TargetPharmacologyConditionPotency
Substrate
661
Substrate
661
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Approved
8583
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

2010
Primary
Phase II
1147
Unknown

Approved Use

Unknown
Primary
Phase III
665
Unknown

Approved Use

Unknown
Primary
Phase II
1147
Unknown

Approved Use

Unknown
Primary
Approved
8583
Kayexalate

Approved Use

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

Launch Date

1958
PubMed

PubMed

TitleDatePubMed
Determination of the mechanism of free radical generation in human aortic endothelial cells exposed to anoxia and reoxygenation.
1994 Sep 30
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
Reactive oxygen species regulate macrophage scavenger receptor type I, but not type II, in the human monocytic cell line THP-1.
1998 Jun
Effect of beta-blockers on free radical-induced cardiac contractile dysfunction.
1999 Jul 27
Different protective roles in vitro of alpha- and beta-domains of growth inhibitory factor (GIF) on neuron injuries caused by oxygen free radicals.
2001 Dec 5
Comparison of the effects of O2*-/HO* free radical- and copper ions-oxidized LDL or lipoprotein(a) on the endothelial cell releases of tissue plasminogen activator and plasminogen activator inhibitor-1.
2001 Oct 5
Molecular and functional characterization of a vasotocin-sensitive aquaporin water channel in quail kidney.
2004 Oct
Effect of dioxane on the structure and hydration-dehydration of alpha-chymotrypsin as measured by FTIR spectroscopy.
2005 Jun 15
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
Copper(II)-human amylin complex protects pancreatic cells from amylin toxicity.
2013 Aug 14
Patents

Patents

03930837
19
03931170
5
03931193
7
03931205
77
03931226
11
03931231
12
03931247
10
03932424
7
03932446
5
03932452
5
03932471
8
03932472
89
03932521
26
03933865
7
03933905
13
03933911
5
03934070
5
03937702
36
03937705
6
03937719
5
03937729
5
03937764
5
03939157
5
03939202
10
03940396
5
03940419
7
03941796
45
03941799
9
03941884
5
03943145
7
03943170
5
03943180
7
03946000
35
03946045
6
03947406
27
03947408
10
03947580
7
03950331
15
03950382
5
03950420
5
03950425
8
03952012
10
03952017
8
03952050
7
03952067
6
03953434
38
03953525
6
03953596
7
03954476
13
03954774
6
03954801
10
03956118
5
04002647
7
04128728
6
04134924
5
04136188
5
04826533
6
04844879
5
05527805
6
05607951
5
05658926
5
06156430
5
06649600
9
06703082
5
07494728
6
08501238
5

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 Mon Mar 31 18:09:24 GMT 2025
Edited
by admin
on Mon Mar 31 18:09:24 GMT 2025
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
AQUA
INCI  
INCI  
Preferred 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 [JAN]
Common 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
Classification Tree Code System Code
DSLD 1013 (Number of products:234)
Created by admin on Mon Mar 31 18:09:24 GMT 2025 , Edited by admin on Mon Mar 31 18:09:24 GMT 2025
Food Contact Sustance Notif, (FCN No.) FCN NO. 1089
Created by admin on Mon Mar 31 18:09:24 GMT 2025 , Edited by admin on Mon Mar 31 18:09:24 GMT 2025
Food Contact Sustance Notif, (FCN No.) FCN NO. 1081
Created by admin on Mon Mar 31 18:09:24 GMT 2025 , Edited by admin on Mon Mar 31 18:09:24 GMT 2025
Food Contact Sustance Notif, (FCN No.) FCN NO. 1236
Created by admin on Mon Mar 31 18:09:24 GMT 2025 , Edited by admin on Mon Mar 31 18:09:24 GMT 2025
Food Contact Sustance Notif, (FCN No.) FCN NO. 1096
Created by admin on Mon Mar 31 18:09:24 GMT 2025 , Edited by admin on Mon Mar 31 18:09:24 GMT 2025
LOINC 59016-6
Created by admin on Mon Mar 31 18:09:24 GMT 2025 , Edited by admin on Mon Mar 31 18:09:24 GMT 2025
Food Contact Sustance Notif, (FCN No.) FCN NO. 1082
Created by admin on Mon Mar 31 18:09:24 GMT 2025 , Edited by admin on Mon Mar 31 18:09:24 GMT 2025
Code System Code Type Description
PUBCHEM
962
Created by admin on Mon Mar 31 18:09:24 GMT 2025 , Edited by admin on Mon Mar 31 18:09:24 GMT 2025
PRIMARY
EPA CompTox
DTXSID6026296
Created by admin on Mon Mar 31 18:09:24 GMT 2025 , Edited by admin on Mon Mar 31 18:09:24 GMT 2025
PRIMARY
CAS
7732-18-5
Created by admin on Mon Mar 31 18:09:24 GMT 2025 , Edited by admin on Mon Mar 31 18:09:24 GMT 2025
PRIMARY
MESH
D014867
Created by admin on Mon Mar 31 18:09:24 GMT 2025 , Edited by admin on Mon Mar 31 18:09:24 GMT 2025
PRIMARY
ECHA (EC/EINECS)
231-791-2
Created by admin on Mon Mar 31 18:09:24 GMT 2025 , Edited by admin on Mon Mar 31 18:09:24 GMT 2025
PRIMARY
EVMPD
SUB15717MIG
Created by admin on Mon Mar 31 18:09:24 GMT 2025 , Edited by admin on Mon Mar 31 18:09:24 GMT 2025
PRIMARY
SMS_ID
100000085825
Created by admin on Mon Mar 31 18:09:24 GMT 2025 , Edited by admin on Mon Mar 31 18:09:24 GMT 2025
PRIMARY
FDA UNII
059QF0KO0R
Created by admin on Mon Mar 31 18:09:24 GMT 2025 , Edited by admin on Mon Mar 31 18:09:24 GMT 2025
PRIMARY
DAILYMED
059QF0KO0R
Created by admin on Mon Mar 31 18:09:24 GMT 2025 , Edited by admin on Mon Mar 31 18:09:24 GMT 2025
PRIMARY
NCI_THESAURUS
C65147
Created by admin on Mon Mar 31 18:09:24 GMT 2025 , Edited by admin on Mon Mar 31 18:09:24 GMT 2025
PRIMARY
ChEMBL
CHEMBL1098659
Created by admin on Mon Mar 31 18:09:24 GMT 2025 , Edited by admin on Mon Mar 31 18:09:24 GMT 2025
PRIMARY
MERCK INDEX
m11507
Created by admin on Mon Mar 31 18:09:24 GMT 2025 , Edited by admin on Mon Mar 31 18:09:24 GMT 2025
PRIMARY Merck Index
NSC
147337
Created by admin on Mon Mar 31 18:09:24 GMT 2025 , Edited by admin on Mon Mar 31 18:09:24 GMT 2025
PRIMARY
CHEBI
15377
Created by admin on Mon Mar 31 18:09:24 GMT 2025 , Edited by admin on Mon Mar 31 18:09:24 GMT 2025
PRIMARY
RXCUI
11295
Created by admin on Mon Mar 31 18:09:24 GMT 2025 , Edited by admin on Mon Mar 31 18:09:24 GMT 2025
PRIMARY
DRUG BANK
DB09145
Created by admin on Mon Mar 31 18:09:24 GMT 2025 , Edited by admin on Mon Mar 31 18:09:24 GMT 2025
PRIMARY
EVMPD
SUB29180
Created by admin on Mon Mar 31 18:09:24 GMT 2025 , Edited by admin on Mon Mar 31 18:09:24 GMT 2025
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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