Hypotaurine
Grundinformationen
- CAS
300-84-5- Standard-SMILES
NCCS(=O)O- InChIKey
VVIUBCNYACGLLV-UHFFFAOYSA-N- Summenformel
- C2H7NO2S
- Durchschnittliche Molmasse
- 109,15 g/mol
- Monoisotopische Masse
- 109,01974964
Überblick
Hypotaurine is an aminosulfinic acid comprising ethylamine having the sulfo group at the 2-position. It has a role as a metabolite, a mouse metabolite and a human metabolite. It is a conjugate acid of a hypotaurine(1-). It is a tautomer of a hypotaurine zwitterion.
Namen und Bezeichner
- Bevorzugter Name
- Hypotaurine
- IUPAC
- 2-aminoethanesulfinic acid
- Englischer Name
- HYPOTAURINE
- Summenformel
- C2H7NO2S
- Molmasse
- 109.15
Namen und Synonyme
hypotaurine300-84-52-Aminoethanesulfinic acidEthanesulfinic acid, 2-amino-2-aminoethane-1-sulfinic acidaminoethanesulfinic acidDTXSID80753802-azaniumylethanesulfinate5L08GE4332CHEBI:16668DTXSID60861856RefChem:147481
Weitere Namen anzeigen
Hypotaurinhypotaurine crystallineHypotaurine >=98% (TLC)2-AMINOETHANESULFUNIC ACIDTaurine Impurity 1 （Hypotaurine）inhibit,Hypotaurine,Inhibitor,Endogenous Metabolite
DTXCID1038113DTXCID60212723428-720-4627-467-92-Aminoethylsulfinic acidCystaminesulfinic acidMFCD00038197Cystaminesulfinate
Datenbank-Bezeichner
- CAS
300-84-5- PubChem CID
- 107812
- DTXSID
DTXSID60861856- ChEMBL
CHEMBL1256480- ChEBI
CHEBI:16668- UNII
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,5
- Polarare Oberfläche (TPSA)
- 82,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 55,5
Experimentelle und physikochemische Eigenschaften
CosmeticsReducing
Physical DescriptionSolid
Collision Cross Section
132.6 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
125.5 Ų [M+H]+
Physikochemische Eigenschaften
- Schmelzpunkt
- 175 · 175-177 °C
- Siedepunkt
- 354.9 · 354.9±44.0 °C(Predicted)
- Dichte
- 1.511 · 1.511±0.06 g/cm3(Predicted)
- storage temp.
- Desiccate at RT
- Löslichkeit
- 2 O: · H2O: 100 mg/mL
- pka
- 2.54 · 2.54±0.10(Predicted)
- Aggregatzustand
- Solid
- Farbe
- white
- Wasserlöslichkeit
- 100 mM · Soluble to 100 mM in water
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
This chemical does not meet GHS hazard criteria for 100% (6 of 6) of all reports.
Not Classified
Gefahrenhinweise
Regulatory Information
REACH registered substance: 2-aminoethanesulfinic acid (EC: 428-720-4)
Ethanesulfinic acid, 2-amino-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Not Classified
Sicherheitsdaten
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationNaturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.
Tissue LocationsFibroblasts
Cellular LocationsCytoplasm
Metabolite PathwaysTaurine and Hypotaurine Metabolism
Verwendung und Herstellung
Use ClassificationCosmetics -> Reducing
Anwendungen
VerwendenHypotaurine is a metabolite of taurine and affects the regulation of the inflammatory aspects of the immune response. It is also converted into taurine in the body.
Anbieter72 Anbieter
荟达医药科技(上海)有限公司15173502222 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
苏州驰瑞智合生物科技有限公司0512-13626191578 13626191578 · [email protected]
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