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Calcein

Calcein structure

CAS No:
1461-15-0
Formula:
C30H26N2O13
Chemical Name:
Calcein
Synonyms:
Glycine,N,N′-[(3′,6′-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9′-[9H]xanthene]-2′,7′-diyl)bis(methylene)]bis[N-(carboxymethyl)-;Fluorescein,2′,7′-bis[[bis(carboxymethyl)amino]methyl]-;Spiro[isobenzofuran-1(3H),9′-[9H]xanthene],glycine deriv.;N,N′-[(3′,6′-Dihydroxy-3-oxospiro[isobenzofuran-1(3H),9′-[9H]xanthene]-2′,7′-diyl)bis(methylene)]bis[N-(carboxymethyl)glycine];2,7-Bis[N,N-bis(carboxymethyl)aminomethylene]fluorescein;Fluorescein complexon;Acetic acid,[(3′,6′-dihydroxy-2′,7′-fluorandiyl)bis(methylenenitrilo)]tetra-;Calcein;Fluorexon;Oftasceine;NSC 298193;2,2′,2′′,2′′′-(((3′,6′-Dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9′-xanthene]-2′,7′-diyl)bis(methylene))bis(azanetriyl))tetraacetic acid;2-[[7′-[[Bis(carboxymethyl)amino]methyl]-3′,6′-dihydroxy-3-oxospiro[2-benzofuran-1,9′-xanthene]-2′-yl]methyl-(carboxymethyl)amino]acetic acid;4370-08-5
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

Description

orange crystals

Calcein is a xanthene dye. It has a role as a fluorochrome. It derives from a fluoran.|Oftasceine is also referred to as Fluorexon. It is used in ophthalmic solutions as a staining agent when fitting soft and hard lenses. It is a fluorescent dye or luminescent agent.

Calcein Basic Attributes

Molecular Weight：

622.53

Exact Mass：

622.53

EC Number：

215-957-1

UNII：

V0YM2B16TS

NSC Number：

298193

DSSTox ID：

DTXSID8045856

HScode：

32041900

Characteristics

PSA：

232

XLogP3：

-3.1

Density：

1.4388 (rough estimate)

Melting Point：

200 °C

Boiling Point：

952.7°C at 760 mmHg

Flash Point：

530.0±34.3 °C

Refractive Index：

1.5800 (estimate)

Water Solubility：

H2O: soluble insoluble

Safety Information

wgk germany：

hazard class code：

R20/21/22;R36/37/38

safety instructions：

22-24/25-36/37/39-26

Marks：

Stability/Shelf Life：

Stable. Incompatible with strong oxidizing agents.

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

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. (See all compounds classified as Fluorescent Dyes.)|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 and Hackh's Chemical Dictionary, 5th ed, p301, p499) (See all compounds classified as Indicators and Reagents.)

MeSH Entry Terms：

calcein

Calcein Use and Manufacturing

Uses

Calcein is used for determination of Ca in biological systems. Indicator for the fluorimetric determination of calcium in presence of Mg by complexometric titration. Calcein is a anthene that is commonly used for the fluorometric determination of calcium in solution. As this form of calcein is not membrane permeable, it can be used in assays that evaluate membrane integrity. Calcein can also be used as a fluorescent indicator for fluoride, iron, and mercury. [Cayman Chemical]

Manufacturing Info：

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

Computed Properties

Molecular Weight:622.5
XLogP3:-3.1
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:12
Exact Mass:622.14348889
Monoisotopic Mass:622.14348889
Topological Polar Surface Area:232
Heavy Atom Count:45
Complexity:1070
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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