Gitoxin structure, CAS 4562-36-1

Gitoxin

CAS Number4562-36-1

SynonymsGitoksin; Anhydrogitalin; gitoxigenin-tridigitoxosid; GINSENOSIDES KIT; bigitalin; GITOXIN

Molecular FormulaC41H64O14

Molecular Weight780.94

Purity99%

Density1.36g/cm3

Boiling Point932ºC at 760 mmHg

Melting Point265ºC

Flash Point

AppearanceWhite crystalline powder

EINECS

MSDSChineseEnglish

Symbol6.1(b)

Signal WordWarning

Cat. No.: 2A-9010748 Purity: 99%
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Quality Control of [ 4562-36-1 ] Purity: 99% SDS Specification MoL

Chemical & Physical Properties
CAS Number4562-36-1
Catalog No.2A-9010748
Chinese Name格列苯脲杂质A
SynonymsGitoksin; Anhydrogitalin; gitoxigenin-tridigitoxosid; GINSENOSIDES KIT; bigitalin; GITOXIN
Molecular FormulaC41H64O14
Molecular Weight780.94
Purity99
Density1.36g/cm3
Boiling Point932ºC at 760 mmHg
Melting Point265ºC
AppearanceWhite crystalline powder
Storage ConditionRoom Temperature
PackagingIII
ApplicationGitoxin is a Na+/K+-ATPase inhibitor that usually occurs due to the metabolic degradation of digoxins. It is only close to the hydroxyl group (ZOH) at the C-17β position, which greatly changes the pha
HTC29389090
PubChem ID329799805
MDL NumberMFCD00021173
SMILESC[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]3[C@@H](O)C[C@@H](O[C@@H]3C)O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5CC[C@]7(C)[C@H]([C@@H](O)C[C@]67O)C8=CC(=O)OC8)C4
InChI1S/C41H64O14/c1-19-36(47)27(42)14-33(50-19)54-38-21(3)52-34(16-29(38)44)55-37-20(2)51-32(15-28(37)43)53-24-8-10-39(4)23(13-24)6-7-26-25(39)9-11-40(5)35(22-12-31(46)49-18-22)30(45)17-41(26,40)48/h12,19-21,23-30,32-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25+,26-,27+,28+,29+,30+,32+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1
InChI KeyLKRDZKPBAOKJBT-CNPIRKNPSA-N
NACRES CodeNA.24
UNSPSC41116107
Hazard Symbols6.1(b)
MSDSmsds/10748_1_4562_36_1.pdf
BioactivityGitoxin, a Na+/K+-ATPase inhibitor, usually appears as a result of metabolic degradation of Digitoxin, is just the hydroxyl (ZOH) group close to the C-17β position, which changes the pharmacokinetics and pharmacodynamics of these substances considerably[1]. Related Catalog Research Areas >> Cardiovascular Disease References [1]. Danijela Krstić, et al. Effects of digoxin and gitoxin on the enzymatic activity and kinetic parameters of Na+/K+-ATPase. J Enzyme Inhib Med Chem. 2004 Oct;19(5):409-15. Chemical & Physical Properties Density 1.36g/cm3 Boiling Point 932ºC at 760 mmHg Melting Point 265ºC Molecular Formula C41H64O14 Molecular Weight 780.94 Flash Point 278.6ºC Exact Mass 780.43000 PSA 203.06000 LogP 2.21810 Index of Refraction 1.602 InChIKey LKRDZKPBAOKJBT-CNPIRKNPSA-N SMILES CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CCC5(C)C(C7=CC(=O)OC7)C(O)CC65O)C4)OC3C)OC2C)CC(O)C1O
Use ofGitoxin, a Na+/K+-ATPase inhibitor, usually appears as a result of metabolic degradation of Digitoxin, is just the hydroxyl (ZOH) group close to the C-17β position, which changes the pharmacokinetics and pharmacodynamics of these substances considerably[1]. Properties Name gitoxin Synonym More Synonyms GITOXIN Biological Activity Description Gitoxin, a Na+/K+-ATPase inhibitor, usually appears as a result of metabolic degradation of Digitoxin, is just the hydroxyl (ZOH) group close to the C-17β position, which changes the pharmacokinetics and pharmacodynamics of these substances considerably[1]. Related Catalog Research Areas >> Cardiovascular Disease References [1]. Danijela Krstić, et al. Effects of digoxin and gitoxin on the enzymatic activity and kinetic parameters of Na+/K+-ATPase. J Enzyme Inhib Med Chem. 2004 Oct;19(5):409-15. Chemical & Physical Properties Molecular Formula C41H64O14 Exact Mass 780.43000 PSA 203.06000 LogP 2.21810 Index of Refraction 1.602 InChIKey LKRDZKPBAOKJBT-CNPIRKNPSA-N
Transport InfoProduct name: Purity: 95.0%
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Dangerous Regulations for land transport: 2811 International Dangerous Regulations for sea transport: 2811 International Dangerous Regulations for air transport: 2811 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: TOXIC SOLID, ORGANIC, N.O.S. (Gitoxin) IMDG: TOXIC SOLID, ORGANIC, N.O.S. (Gitoxin) International air transport hazard regulations: Toxic solid, organic, n.o.s. (Gitoxin) 14.3 Transport hazard categories European Land Transport Danger Regulations: 6.1 International Maritime Transport Danger Regulations: 6.1 International Air Transport Danger Regulations: 6.1 14.4 Package group European Dangerous Regulations for land transport: I International Dangerous Regulations for sea transport: I International Dangerous Regulations for air transport: I 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available See reverse side of invoice or packing slip.
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