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Thymolphthalexon

Thymolphthalexon structure

CAS No:
1913-93-5
Formula:
C38H44N2O12
Chemical Name:
Thymolphthalexon
Synonyms:
Glycine,N,N′-[(3-oxo-1(3H)-isobenzofuranylidene)bis[[6-hydroxy-2-methyl-5-(1-methylethyl)-3,1-phenylene]methylene]]bis[N-(carboxymethyl)-;Phenolphthalein,3′,3′′-bis[[bis(carboxymethyl)amino]methyl]-5′,5′′-diisopropyl-2′,2′′-dimethyl-;N,N′-[(3-Oxo-1(3H)-isobenzofuranylidene)bis[[6-hydroxy-2-methyl-5-(1-methylethyl)-3,1-phenylene]methylene]]bis[N-(carboxymethyl)glycine];Thymolphthalexon;Thymolphthalein complexon;Thymolphthalein complexone;2-[[5-[1-[3-[[Carboxylatomethyl(carboxymethyl)azaniumyl]methyl]-4-hydroxy-2-methyl-5-propan-2-ylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methyl-(carboxymethyl)azaniumyl]acetate
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

beige to grey-brown crystalline solid

Thymolphthalexon Basic Attributes

Molecular Weight：

720.76

Exact Mass：

720.76

BRN：

1339087

EC Number：

217-627-2

DSSTox ID：

DTXSID10172646

HScode：

32041900

Characteristics

PSA：

222.44000

XLogP3：

4.36610

Appearance：

Beige solid.

Density：

1.385±0.06 g/cm3(Predicted)

Melting Point：

191 °C

Boiling Point：

886.7±65.0 °C(Predicted)

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure：

1.03E-33mmHg at 25°C

Safety Information

safety instructions：

24/25

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Drug Information

MeSH Entry Terms：

thymolphthalexone

Thymolphthalexon Use and Manufacturing

Complex indicator for determination of calcium, strontium and barium

Computed Properties

Molecular Weight:720.8
XLogP3:0.3
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:16
Exact Mass:720.28942484
Monoisotopic Mass:720.28942484
Topological Polar Surface Area:222
Heavy Atom Count:52
Complexity:1200
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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THYMOLPHTHALEIN COMPLEXONE 1913-93-5

CAS No.: 1913-93-5

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