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52589-12-5

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Basic information
1. Product Name: diginatin
2. Synonyms: diginatin;Brn 0077168;Card-20(22)-enolide, 3-((o-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-o-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1,4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14,16-trihydroxy-, (3-beta,5-beta,12-beta,16-beta)-;Diginatigenin-tridigitoxosid;Diginatigenin-tridigitoxosid [german];Einecs 258-028-6;Digoxin IMpurity E
3. CAS NO:52589-12-5
4. Molecular Formula: C₄₁H₆₄O₁₅
5. Molecular Weight: 796.93786
6. EINECS: 258-028-6
7. Product Categories: N/A
8. Mol File: 52589-12-5.mol
Chemical Properties
1. Melting Point: 251-253°
2. Boiling Point: 961.6 °C at 760 mmHg
3. Flash Point: 287.6 °C
4. Appearance: /
5. Density: 1.39 g/cm³
6. Vapor Pressure: 0mmHg at 25°C
7. Refractive Index: 1.61
8. Storage Temp.: N/A
9. Solubility: N/A
10. PKA: 13.50±0.70(Predicted)
11. CAS DataBase Reference: diginatin(CAS DataBase Reference)
12. NIST Chemistry Reference: diginatin(52589-12-5)
13. EPA Substance Registry System: diginatin(52589-12-5)
Safety Data
1. Hazard Codes: N/A
2. Statements: N/A
3. Safety Statements: N/A
4. WGK Germany:
5. RTECS:
6. HazardClass: N/A
7. PackingGroup: N/A
8. Hazardous Substances Data: 52589-12-5(Hazardous Substances Data)

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Uses

16-Hydroxy Digoxin is an impurity of DIgoxin (D446575), a cardiotonic.

Check Digit Verification of cas no

The CAS Registry Mumber 52589-12-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,2,5,8 and 9 respectively; the second part has 2 digits, 1 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 52589-12:
(7*5)+(6*2)+(5*5)+(4*8)+(3*9)+(2*1)+(1*2)=135
135 % 10 = 5
So 52589-12-5 is a valid CAS Registry Number.

InChI:InChI=1/C41H64O15/c1-18-36(48)26(42)13-33(51-18)55-38-20(3)53-34(15-28(38)44)56-37-19(2)52-32(14-27(37)43)54-23-8-9-39(4)22(11-23)6-7-24-25(39)12-30(46)40(5)35(21-10-31(47)50-17-21)29(45)16-41(24,40)49/h10,18-20,22-30,32-38,42-46,48-49H,6-9,11-17H2,1-5H3