5-Hydantoinpropionic acid
Grundinformationen
- CAS
5624-26-0- Standard-SMILES
O=C(O)CCC1NC(=O)NC1=O- InChIKey
VWFWNXQAMGDPGG-UHFFFAOYSA-N- Summenformel
- C6H8N2O4
- Durchschnittliche Molmasse
- 172,14 g/mol
- Monoisotopische Masse
- 172,04840674
Überblick
Hydantoin-5-propionic acid is a imidazolidine-2,4-dione that is hydantoin substituted by a 2-carboxyethyl group at position 4. It has a role as a metabolite and a mouse metabolite. It is an imidazolidine-2,4-dione and a monocarboxylic acid. It is functionally related to a hydantoin. It is a conjugate acid of a hydantoin-5-propionate.
Namen und Bezeichner
- Bevorzugter Name
- 5-Hydantoinpropionic acid
- IUPAC
- 3-(2,5-dioxoimidazolidin-4-yl)propanoic acid
- Englischer Name
- 3-(2,5-dioxoimidazolidin-4-yl)propanoic acid
- Summenformel
- C6H8N2O4
- Molmasse
- 172.14
Namen und Synonyme
5624-26-0Hydantoin-5-propionic acid4-Imidazolidinepropanoic acid, 2,5-dioxo-CHEBI:282971-(2,4-(3H,5H)Imidazoledione)propionic acid5-Hydantoinpropionic acidRefChem:7886003-(2,5-dioxoimidazolidin-4-yl)propanoic acidHydantoin-propionate3-(2,5-Dioxo-imidazolidin-4-yl)-propionic acid3-(2,5-dioxo-4-imidazolidinyl)propanoic acidCarglumic Acid Impurity 8
Weitere Namen anzeigen
HYDANTOIN-5-PROPIONATERacemic glutamate impurity A3-(2,5-diketoimidazolidin-4-yl)propionic acid3-(2,5-dioxoimidazolidin-4-yl)propanoic acid(SALTDATA: FREE)
MFCD027379843-(2,5-dioxo-1,3-diazolidin-4-yl)propanoic acidL-Hydantoin-5-propionic acidL-Hydantoin-5-propionic acid; Carglumic Acid Related Compound A;NSC 23606Carglumic Acid impurity 01Oprea1_310966Oprea1_558366
Datenbank-Bezeichner
- CAS
5624-26-0- PubChem CID
- 782
- DTXSID
DTXSID50863581- ChEBI
CHEBI:28297- EC Number
- 819-779-0
- Nikkaji
- J2.368.416K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,2
- Polarare Oberfläche (TPSA)
- 95,5 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 238
Experimentelle und physikochemische Eigenschaften
Physical DescriptionSolid
Physikochemische Eigenschaften
- Schmelzpunkt
- 179 · 179-181 °C(Solv: water (7732-18-5))
- Dichte
- 1.405 · 1.405±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 4.37 · 4.37±0.10(Predicted)
- Farbe
- White to Off-White
- Stabilität
- Hygroscopic
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 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (50%)
Sicherheitsdaten
- hazard_class
- IRRITANT
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Anwendungen
Verwenden3-(2,5-Dioxoimidazolidin-4-yl)propanoic Acid is defined as combinational markers to distinguish hepatocellular carcinoma (HCC) from cirrhosis (CIR).
Anbieter20 Anbieter
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海硅兰医药科技有限公司17301772648; 17301772648 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
梯尔希（南京）药物研发有限公司18012923235 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海安谱实验科技股份有限公司18502138905 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Ergänzende Hinweise
DefinitionChEBI: A imidazolidine-2,4-dione that is hydantoin substituted by a 2-carboxyethyl group at position 4.
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