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Oftasccin

Calcein

HCID 65079
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GrundinformationenNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
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Grundinformationen

CAS
1461-15-0
Standard-SMILES
O=C(O)CN(CC(=O)O)Cc1cc2c(cc1O)Oc1cc(O)c(CN(CC(=O)O)CC(=O)O)cc1C21OC(=O)c2ccccc21
InChIKey
DEGAKNSWVGKMLS-UHFFFAOYSA-N
Summenformel
C30H26N2O13
Durchschnittliche Molmasse
622,5 g/mol
Monoisotopische Masse
622,14348889

Namen und Bezeichner

Bevorzugter Name
Calcein
IUPAC
2-[[7'-[[bis(carboxymethyl)amino]methyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]methyl-(carboxymethyl)amino]acetic acid
Lokaler Name
Oftasccin
Englischer Name
Calcein
Summenformel
C30H26N2O13
Molmasse
622.53

Namen und Synonyme

calceinFluorexon1461-15-0OftasceineOftasceinaOftasceinumV0YM2B16TSNSC-2981932',7'-Bis((bis(carboxymethyl)amino)methyl)fluoresceinNSC298193Glycine, N,N'-[(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-2',7'-diyl)bis(methylene)]bis[N-(carboxymethyl)-2,7-Bis(N,N-bis(carboxymethyl)aminomethylene)fluorescein
Weitere Namen anzeigen
3,3'-BIS[N,N-BIS(CARBOXYMETHYL)AMINOMETHYL]FLUORESCEINCALCEINEFLUREXONEN,N'-[[3'FLUOREXONEoftasccineNsc 298193
CHEBI:51903N,N'-(3',6'-Dihydroxyspiro(phthalid-3,9'-xanthen)-2',7'-diyldimethyl)bis(iminodiessigsaeure)Glycine, N,N'-((3',6'-dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthene)-2',7'-diyl)bis(methylene))bis(N-(carboxymethyl)-RefChem:1679752-(((7'-((bis(carboxymethyl)amino)methyl)-3',6'-dihydroxy-3-oxo-3H-spiro(2-benzofuran-1,9'-xanthene)-2'-yl)methyl)(carboxymethyl)amino)acetic acid215-957-1DTXCID6025856DTXSID8045856

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-3,1
Polarare Oberfläche (TPSA)
232 Ų
H-Brücken-Donoren
6
H-Brücken-Akzeptoren
15
Frei drehbare Bindungen
12
Schwere Atome
45
Formalladung
0
Komplexität
1.070

Experimentelle und physikochemische Eigenschaften

Physical DescriptionOrange powder; [Acros Organics MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
200 °C · 200 °C
Siedepunkt
662.7 °C · 662.7°C (rough estimate)
Dichte
1.4388 · 1.4388 (rough estimate)
Brechungsindex
1.58 · 1.5800 (estimate)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit
2 O: · H2O: soluble
Aggregatzustand
Powder
pka
6.67 · 6.67(at 25℃)
Farbe
Yellow-orange to orange-brown
Wasserlöslichkeit
insoluble
Stabilität
Stable. Incompatible with strong oxidizing agents.
Major Application
Chemical-mechanical polishing, stabilizing liposomes, cell motility assay, detecting nucleic acids, virus, screening safety of gastric mucosa, MDR inhibitors, delivery, imaging atherosclerotic plaque

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 · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+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.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Glycine, N,N'-[(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-2',7'-diyl)bis(methylene)]bis[N-(carboxymethyl)-

Glycine, N,N'-[(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-2',7'-diyl)bis(methylene)]bis[N-(carboxymethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause mechanical eye irritation; [Acros Organics MSDS] See Fluorescein.
Hazard Classes and CategoriesAcute Tox. 4 (100%);Acute Tox. 4 (100%);Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);Acute Tox. 4 (100%);STOT SE 3 (100%)

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 2 Einträge

Chemicals that emit light after excitation by light. The wave length of the emitted light is usually longer than that of the incident light. Fluorochromes are substances that cause fluorescence in other substances, i.e., dyes used to mark or label other compounds with fluorescent tags.

Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)

Verwendung und Herstellung

General Manufacturing InformationGlycine, N,N'-[(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-2',7'-diyl)bis(methylene)]bis[N-(carboxymethyl)-: ACTIVE

Anwendungen

VerwendenCalcein is used for determination of Ca in biological systems. Indicator for the fluorimetric determination of calcium in presence of Mg by complexometric titration.

Anbieter100 Anbieter

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Zugehörige Reaktionen

1
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 1250440
HRID 1250440als Eduktuspto-grants-2002_01

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Datenbank-Bezeichner

CAS
1461-15-0
PubChem CID
65079
ChEMBL
CHEMBL1973733
ChEBI
CHEBI:51903
UNII
V0YM2B16TS
EC Number
215-957-1
Nikkaji
J7.743G
CAS Datenbank
1461 · 1461-15-0(CAS DataBase Reference)
EPA chemische Informationen
Glycine, N,N'-[(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-2',7'-diyl)bis(methylene)]bis[N-(carboxymethyl)- (1461-15-0)

Regulatorische Informationen

Regulatory Information · 2 Einträge

Chemical: Glycine, N,N'-[(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-2',7'-diyl)bis(methylene)]bis[N-(carboxymethyl)-

Glycine, N,N'-[(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-2',7'-diyl)bis(methylene)]bis[N-(carboxymethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

F
10
wgk
3
tsca
TSCA listed
hs_code
32041900
risk_code
20/21/22-36/37/38
hazard_code
Xn
safety_code
22-24/25-36/37/39-26
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