ChemicalBook--->CAS DataBase List--->480452-36-6

480452-36-6

480452-36-6 Structure

480452-36-6 Structure
IdentificationBack Directory
[Name]

EthanediaMide iMpurity D
[CAS]

480452-36-6
[Synonyms]

Edoxaban-4
Edoxaban impurity D
Edoxaban iMpurities 4
EthanediaMide iMpurity D
(1R, 2S, 5S)-tert-Buty Edoxaban
(1R,2S,5S)-2-[[2-[(5-chlorobenzyl-2-yl)amino] -2-oxoacetyl]amino]-5-(dimethylaminocarbonyl)cyclohexyl ]Tert-But
(5-chloropyridin-2-yl)-N2-((1S,2R,4S)-2-[(tert-Butoxycarbonyl)Amino ]-4-[(dimethylamino)carbonyl]-cyclohexyl)oxalamide
tert-butyl [(1R,2S,5S)-2-({[(5-chloropyridin-2-yl)amino](oxo)acetyl}amino)-5-(dimethylaminocarbonyl)cyclohexyl]carbamate
N1-(5-chloropyridin-2-yl)-N2-((1S,2R,4S)-2-[(tert-Butoxycarbonyl)Amino ]-4-[(dimethylamino)carbonyl]-cyclohexyl) oxalamide
tert-Butyl(1R,2S,5S)-2-({2-[(5-chloropyridin-2-yl)aMino]-2-oxoacetyl}aMino)-5-[(diMethylaMino)carbonyl]cyclohexyl-carbaMate
[(1R,2S,5S)-2-[[2-[(5-chlorobenzyl-2-yl)amino] -2-oxoacetyl]amino] -5-(dimethylaminocarbonyl)cyclohexyl ]Tert-Butyl Carbamate
(1R,2S,5S)-2-({2-[5-chloropyridin-2-ylamino]-2-oxoacetyl}amino)-5-[(dimethylamino)carbonyl]cyclohexyl-carbamic acid tert-butyl ester
Edoxaban impurity 12/tert-Butyl [(1R,2S,5S)-2-[[2-[(5-chloropyridin-2-yl)amino]-2-oxoacetyl]amino]-5-(dimethylaminocarbonyl)cyclohexyl]carbamate
Carbamic acid, n-[(1r,2s,5s)-2-[[2-[(5-chloro-2-pyridinyl) amino]-2-oxoacetyl]amino]-5-[(dimethylamino)carbonyl]cyclohexyl]-, 1,1-dimethylethyl ester
[EINECS(EC#)]

836-116-0
[Molecular Formula]

C21H30ClN5O5
[MOL File]

480452-36-6.mol
[Molecular Weight]

467.95
Chemical PropertiesBack Directory
[density ]

1.29±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

9.46±0.70(Predicted)
[color ]

White to Off-White
[InChIKey]

YJDLJNAWLBVIRF-AEGPPILISA-N
[SMILES]

C(OC(C)(C)C)(=O)N[C@@H]1C[C@@H](C(N(C)C)=O)CC[C@@H]1NC(C(NC1=NC=C(Cl)C=C1)=O)=O
[LogP]

0.548
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H412-H335-H315-H302
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P-P273-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
[REACH Registrations]

Active
Hazard InformationBack Directory
[Uses]

(1R, 2S, 5S)-tert-Buty Edoxaban is an impurity of Edoxaban (E555520). Edoxaban is an anticoagulant drug which acts as a direct factor Xa inhibitor.
[storage]

Store at -20°C
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