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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
MOL RATIO 1 MOL RATIO (average)
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
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

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

Primary TargetPharmacologyConditionPotency

Conditions

ConditionModalityTargetsHighest PhaseProduct
Curative
GANTRISIN

PubMed

Sample Use Guides

In Vivo Use Guide
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
In Vitro Use Guide
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
Record UNII
30S4B46J8B
Record Status Validated (UNII)
Record Version