Glucametacin supplier | CasNO.52443-21-7

Name
glucametacin
EINECS 257-923-9
CAS No. 52443-21-7
Density 1.44 g/cm³
Solubility
Melting Point
Formula C₂₅H₂₇ClN₂O₈
Boiling Point 793.7 °C at 760 mmHg
Molecular Weight 518.94
Flash Point 433.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms D-Glucose,2-[[[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl]amino]-2-deoxy-(9CI);Glucametacin;Glucametacine;Glucamethacin;Indomethacin glucosamide;
PSA 159.71000
LogP 1.08540

Glucametacin Specification

The Glucametacin with the cas number 52443-21-7 is also called D-Glucose,2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl]amino]-2-deoxy-. The IUPAC name is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide. Its EINECS registry number is 257-923-9. The molecular formula is C₂₅H₂₇ClN₂O₈. It is indomethacin analog.

The properties of the chemical are: (1)ACD/LogP: 0.61; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 0.61; (4)ACD/LogD (pH 7.4): 0.61; (5)ACD/BCF (pH 5.5): 1.71; (6)ACD/BCF (pH 7.4): 1.71; (7)ACD/KOC (pH 5.5): 51.04; (8)ACD/KOC (pH 7.4): 51.04; (9)#H bond acceptors: 10; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 105.53 Å²; (13)Index of Refraction: 1.634; (14)Molar Refractivity: 128.71 cm³; (15)Molar Volume: 359.5 cm³; (16)Polarizability: 51.02×10^-24cm³; (17)Surface Tension: 55.6 dyne/cm; (18)Enthalpy of Vaporization: 121.06 kJ/mol; (19)Vapour Pressure: 1.47×10^-26 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C[C@H](NC(=O)Cc2c1cc(OC)ccc1n(c2C)C(=O)c3ccc(Cl)cc3)[C@@H](O)[C@H](O)[C@H](O)CO
(2)InChI: InChI=1/C25H27ClN2O8/c1-13-17(10-22(32)27-19(11-29)23(33)24(34)21(31)12-30)18-9-16(36-2)7-8-20(18)28(13)25(35)14-3-5-15(26)6-4-14/h3-9,11,19,21,23-24,30-31,33-34H,10,12H2,1-2H3,(H,27,32)/t19-,21+,23+,24+/m0/s1
(3)InChIKey: XLVXAUNDHWERBM-IVGWJTKZBP

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
human	TDLo	oral	84mg/kg/14D-I (84mg/kg)	BEHAVIORAL: HEADACHE GASTROINTESTINAL: OTHER CHANGES	Arzneimittel-Forschung. Drug Research. Vol. 25, Pg. 435, 1975.

Product Name

glucametacin

Glucametacin Specification

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