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Details

Stereochemistry ACHIRAL
Molecular Formula C11H13N3O3S.C4H11NO2
Molecular Weight 372.44
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SULFISOXAZOLE DIOLAMINE

SMILES

OCCNCCO.CC1=NOC(NS(=O)(=O)C2=CC=C(N)C=C2)=C1C

InChI

InChIKey=FEPTXVIRMZIGFY-UHFFFAOYSA-N
InChI=1S/C11H13N3O3S.C4H11NO2/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10;6-3-1-5-2-4-7/h3-6,14H,12H2,1-2H3;5-7H,1-4H2

HIDE SMILES / InChI

Molecular Formula C11H13N3O3S
Molecular Weight 267.304
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C4H11NO2
Molecular Weight 105.1356
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Diethanolamine (DEA) is an amino alcohol commonly used in the preparation of soaps and surfactants, agricultural chemicals and in textile processing. DEA and DEA-Derivatives are used in other products besides cosmetics and personal care products. For example, DEA and DEA-derivatives have been approved for several food-related applications, primarily food packaging.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Curative
GANTRISIN

Approved Use

Antibacterial

Launch Date

1953
Sourcing

Sourcing

Vendor/AggregatorIDURL
PubMed

PubMed

TitleDatePubMed
NTP Toxicology and Carcinogenesis Studies of Diethanolamine (CAS No. 111-42-2) in F344/N Rats and B6C3F1 Mice (Dermal Studies).
1999 Jul
NTP Toxicology and Carcinogenesis Studies of Lauric Acid Diethanolamine Condensate (CAS NO. 120-40-1) in F344/N Rats and B6C3F1 Mice (Dermal Studies).
1999 Jul
Toxicology and carcinogenesis studies of coconut oil acid diethanolamine condensate (CAS No. 68603-42-9) in F344/N rats and B6C3F1 mice (dermal studies).
2001 Jan
The development of photometric sensors for boronic acids.
2001 Oct
A pH sensor based on force generated by pH-dependent polymer swelling.
2002 Aug
Incorporating mechanistic data into risk assessment.
2002 Dec 27
Synthesis and characterization of novel ceramide analogs for induction of apoptosis in human cancer cells.
2002 Jul 8
Choline deficiency associated with diethanolamine carcinogenicity.
2002 May
The effect of different buffers and amounts of intestinal alkaline phosphatase isoforms on total alkaline phosphatase activity.
2002 May 7
The prognostic value of vascular endothelial growth factor in 574 node-negative breast cancer patients who did not receive adjuvant systemic therapy.
2002 Sep 23
The effect of ovary implants on juvenile hormone production by corpora allata of male Diploptera punctata.
2003
Local anaesthetic effects and toxicity of seven new diethanolamine and morpholine derivatives of fomocaine. Testing in rats compared with procaine and tetracaine.
2003
The use of complexation with alkanolamines to facilitate skin permeation of mefenamic acid.
2003 Aug 27
Chromosome malsegregation induced by the rodent carcinogens acetamide, pyridine and diethanolamine in Drosophila melanogaster females.
2003 Aug 5
Absorption and reaction kinetics of amines and ammonia solutions with carbon dioxide in flue gas.
2003 Feb
A new stressed test to predict the foreign matter formation of minodronic acid in solution.
2003 Jan 30
An adapted ELISA method for differentiating pathogenic from nonpathogenic aPL by a beta 2 glycoprotein I dependency anticardiolipin assay.
2004
Bystander suppression of collagen-induced arthritis in mice fed ovalbumin.
2004
IL-17 induces production of IL-6 and IL-8 in rheumatoid arthritis synovial fibroblasts via NF-kappaB- and PI3-kinase/Akt-dependent pathways.
2004
Evidence that involucrin, a marker for differentiation, is oxygen regulated in human squamous cell carcinomas.
2004 Feb 9
Investigations on cell proliferation in B6C3F(1) mouse liver by diethanolamine.
2004 Jan
Expanding the vision of environmental health at UNC-CH.
2004 Jul
Theoretical scales of hydrogen bond acidity and basicity for application in QSAR/QSPR studies and drug design. Partitioning of aliphatic compounds.
2004 May-Jun
Assembling novel heterotrimetallic Cu/Co/Ni and Cu/Co/Cd cores supported by diethanolamine ligand in one-pot reactions of zerovalent copper with metal salts.
2004 Nov 29
Determination of volatile corrosion inhibitors by capillary electrophoresis.
2004 Oct 8
Patch test results with the metalworking fluid series of the German Contact Dermatitis Research Group (DKG).
2004 Sep
Chemical-induced atrial thrombosis in NTP rodent studies.
2005
Evaluation of alkaline phosphatase activity assay for the Reflotron system after substitution of the comparison method.
2005
Elevated matrix metalloproteinase-9 in patients with systemic sclerosis.
2005
Review of the carcinogenic activity of diethanolamine and evidence of choline deficiency as a plausible mode of action.
2005 Dec
Brainstem levels of transcription factor AP-2 in rat are changed after treatment with phenelzine, but not with citalopram.
2005 Jan 21
High-frequency, high-field EPR; magnetic susceptibility; and X-ray studies on a ferromagnetic heterometallic complex of diethanolamine (H2L), [Cu4(NH3)4(HL)4][CdBr4]Br2.3dmf.H2O.
2005 Jan 24
Prediction of genotoxicity of chemical compounds by statistical learning methods.
2005 Jun
Simultaneous detection of monoethanolamine, diethanolamine, and triethanolamine by HPLC with a chemiluminescence reaction and online derivatization to tertiary amine.
2005 May
Small-angle neutron scattering of ionic perfluoropolyether micellar solutions: role of counterions and temperature.
2005 May 12
Determination of novel complexing agents in pulp and paper mill effluents and in lake water by liquid chromatography.
2005 Nov 11
Species differences in the induction of hepatocellular DNA synthesis by diethanolamine.
2005 Oct
Investigation of the formation of N-nitrosodiethanolamine in B6C3F1 mice following topical administration of triethanolamine.
2005 Oct
Mechanistic explanation to the catalysis by pyrazinamide and ethambutol of reaction between rifampicin and isoniazid in anti-TB FDCs.
2005 Oct 4
P5L mutation in Ank results in an increase in extracellular inorganic pyrophosphate during proliferation and nonmineralizing hypertrophy in stably transduced ATDC5 cells.
2006
Impairment of chondrocyte biosynthetic activity by exposure to 3-tesla high-field magnetic resonance imaging is temporary.
2006
Diethanolamine alters neurogenesis and induces apoptosis in fetal mouse hippocampus.
2006 Aug
The decay of the ATPase activity of light plus thiol-activated thylakoid membranes in the dark.
2006 Feb
Synthesis, structure, and hydrolytic reaction of trans-dichlorobis(diethanolamine-N)palladium(II) with N-acetylated L-histidylglycine dipeptide.
2006 Oct
Simultaneous absorption of CO2 and H2S into aqueous blends of N-methyldiethanolamine and diethanolamine.
2006 Oct 1
Cholesterol synthesis inhibitors protect against platelet-activating factor-induced neuronal damage.
2007 Jan 18
Simultaneous monitoring of inorganic cations, amines and amino acids in human sweat by capillary electrophoresis.
2007 Jan 2
Ternary complexes of flurbiprofen with HP-beta-CD and ethanolamines characterization and transdermal delivery.
2007 Mar
Determination of occupational exposure to alkanolamines in metal-working fluids.
2007 Mar
Use of high-boiling point organic solvents for pulping oil palm empty fruit bunches.
2008 Apr
Patents

Sample Use Guides

MICE: Groups of 50 male and 50 female mice were administered 0, 40, 80, or 160 mg diethanolamine/kg body weight in ethanol dermally for 2 years. In male mice, the incidences of hepatocellular adenoma and of hepatocellular adenoma or carcinoma (combined) in all dosed groups and of hepatocellular carcinoma and hepatoblastoma in 80 and 160 mg/kg males were significantly increased compared to the vehicle controls.
Route of Administration: Other
Sperm suspension was incubated with different concentrations (100–500 ug/mL) of diethanolamine to evaluate sperm parameters such as sperm motility, sperm viability and sperm morphology. diethanolamine caused significant decrease in sperm motility and sperm viability which was concentration and time–dependent.
Substance Class Chemical
Created
by admin
on Fri Dec 15 14:58:30 GMT 2023
Edited
by admin
on Fri Dec 15 14:58:30 GMT 2023
Record UNII
30S4B46J8B
Record Status Validated (UNII)
Record Version
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Name Type Language
SULFISOXAZOLE DIOLAMINE
ORANGE BOOK   USAN   VANDF  
USAN  
Official Name English
SULFISOXAZOLE DIOLAMINE [VANDF]
Common Name English
N(SUP 1)-(3,4-DIMETHYL-5-ISOXAZOLYL)SULFANILAMIDE COMPOUND WITH 2,2'-IMINODIETHANOL (1:1)
Systematic Name English
SULFISOXAZOLE DIOLAMINE [ORANGE BOOK]
Common Name English
SULFAFURAZOLE DIOLAMINE [MART.]
Common Name English
Sulfafurazole diethanolamine [WHO-DD]
Common Name English
SULPHAFURAZOLE DIOLAMINE
Common Name English
SULFAFURAZOLE DIETHANOLAMINE
WHO-DD  
Common Name English
NU-445
Code English
BENZENESULFONAMIDE, 4-AMINO-N-(3,4-DIMETHYL-5-ISOXAZOLYL)-, COMPD. WITH 2,2'-IMINOBIS(ETHANOL) (1:1)
Systematic Name English
SULFISOXAZOLE DIETHANOLAMINE SALT
MI  
Common Name English
SULFISOXAZOLE DIOLAMINE [USAN]
Common Name English
SULFISOXAZOLE DIETHANOLAMINE SALT [MI]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29739
Created by admin on Fri Dec 15 14:58:30 GMT 2023 , Edited by admin on Fri Dec 15 14:58:30 GMT 2023
Code System Code Type Description
CAS
4299-60-9
Created by admin on Fri Dec 15 14:58:30 GMT 2023 , Edited by admin on Fri Dec 15 14:58:30 GMT 2023
PRIMARY
NCI_THESAURUS
C66573
Created by admin on Fri Dec 15 14:58:30 GMT 2023 , Edited by admin on Fri Dec 15 14:58:30 GMT 2023
PRIMARY
DRUG BANK
DBSALT001376
Created by admin on Fri Dec 15 14:58:30 GMT 2023 , Edited by admin on Fri Dec 15 14:58:30 GMT 2023
PRIMARY
PUBCHEM
20287
Created by admin on Fri Dec 15 14:58:30 GMT 2023 , Edited by admin on Fri Dec 15 14:58:30 GMT 2023
PRIMARY
MERCK INDEX
m10352
Created by admin on Fri Dec 15 14:58:30 GMT 2023 , Edited by admin on Fri Dec 15 14:58:30 GMT 2023
PRIMARY Merck Index
FDA UNII
30S4B46J8B
Created by admin on Fri Dec 15 14:58:30 GMT 2023 , Edited by admin on Fri Dec 15 14:58:30 GMT 2023
PRIMARY
RXCUI
10208
Created by admin on Fri Dec 15 14:58:30 GMT 2023 , Edited by admin on Fri Dec 15 14:58:30 GMT 2023
PRIMARY RxNorm
SMS_ID
100000086510
Created by admin on Fri Dec 15 14:58:30 GMT 2023 , Edited by admin on Fri Dec 15 14:58:30 GMT 2023
PRIMARY
EVMPD
SUB20749
Created by admin on Fri Dec 15 14:58:30 GMT 2023 , Edited by admin on Fri Dec 15 14:58:30 GMT 2023
PRIMARY
ChEMBL
CHEMBL453
Created by admin on Fri Dec 15 14:58:30 GMT 2023 , Edited by admin on Fri Dec 15 14:58:30 GMT 2023
PRIMARY
EPA CompTox
DTXSID90195616
Created by admin on Fri Dec 15 14:58:30 GMT 2023 , Edited by admin on Fri Dec 15 14:58:30 GMT 2023
PRIMARY
ECHA (EC/EINECS)
224-308-1
Created by admin on Fri Dec 15 14:58:30 GMT 2023 , Edited by admin on Fri Dec 15 14:58:30 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE
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ACTIVE MOIETY