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ChemicalBook--->CAS DataBase List--->365998-36-3

365998-36-3

365998-36-3 Structure

365998-36-3 Structure
IdentificationBack Directory
[Name]

(5H-Pyrrolo[3,4-d]thiazole-5-carboxylic acid,2-[[[(1R,2S,5S)-2-[[(5-chloro-1H-indol-2-yl)carbonyl]aMino]-5-[(diMethylaMino)carbonyl]cyclohexyl]aMino]carbonyl]-4,6-dihydro-,1,1-diMethylethyl ester
[CAS]

365998-36-3
[Synonyms]

D-1315
(5H-Pyrrolo[3
Edoxaban Impurity 47
Edoxaban INTERMEDIATES Ⅰ
Edoxaban INTERMEDIATES Ⅱ
Edoxaban INTERMEDIATES Ⅲ
InterMediate of Edoxaban
EthanediaMide iMpurity A
4-d]thiazole-5-carboxylic acid
[(1R,2S,5S)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]carbamate
ert-butylN-[(1R,2S,5S)-2-amino-5-(dimethylcarbamoyl)cyclohexyl]carbamate
tert-Butyl [(1R,2S,5S)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]carbamate
(1S,2R,4S)-N2-(tert-butoxycarbonyl)-4-(N,N-dimethylcarbamoyl)-1,2-cyclohexanediamine
N-[(1R,2S,5S)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl] -, 1,1-dimethylethyl ester
Tert-Butyl [(1R,2S,5S)-2-aMino-5-[(diMethylaMino)carbonyl]cyclohexyl]carbaMate(for Edoxaban)
N-[(1R,2S,5S)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]carbamic acid 1,1-dimethylethyl ester
Carbamic acid,[(1R,2S,5S)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]-,1,1-dimethylethyl ester
Carbamic acid, N-[(1R,2S,5S)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]-, 1,1-dimethylethyl este
CarbaMic acid, N-[(1R,2S,5S)-2-aMino-5-[(diMethylaMino)carbonyl]cyclohexyl]-, 1,1-diMethylethyl ester
5S)-2-[[(5-chloro-1H-indol-2-yl)carbonyl]aMino]-5-[(diMethylaMino)carbonyl]cyclohexyl]aMino]carbonyl]-4
Carbamic acid, N-[(1R,2S,5S)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]-, 1,1-dimethylethyl ester, ethanedioate (1:1)
(5H-Pyrrolo[3,4-d]thiazole-5-carboxylic acid,2-[[[(1R,2S,5S)-2-[[(5-chloro-1H-indol-2-yl)carbonyl]aMino]-5-[(diMethylaMino)carbonyl]cyclohexyl]aMino]c
(5H-Pyrrolo[3,4-d]thiazole-5-carboxylic acid,2-[[[(1R,2S,5S)-2-[[(5-chloro-1H-indol-2-yl)carbonyl]aMino]-5-[(diMethylaMino)carbonyl]cyclohexyl]aMino]carbonyl]-4,6-dihydro-,1,1-diMethylethyl este
(5H-Pyrrolo[3,4-d]thiazole-5-carboxylic acid,2-[[[(1R,2S,5S)-2-[[(5-chloro-1H-indol-2-yl)carbonyl]aMino]-5-[(diMethylaMino)carbonyl]cyclohexyl]aMino]carbonyl]-4,6-dihydro-,1,1-diMethylethyl ester
(5H-Pyrrolo[3,4-d]thiazole-5-carboxylic acid,2-[[[(1R,2S,5S)-2-[[(5-chloro-1H-indol-2-yl)carbonyl]aMino]-5-[(diMethylaMino)carbonyl]cyclohexyl]aMino]carbonyl]-4,6-dihydro-,1,1-diMethylethyl esterChemicalBook
[EINECS(EC#)]

1592732-453-0
[Molecular Formula]

C14H27N3O3
[MDL Number]

MFCD22190570
[MOL File]

365998-36-3.mol
[Molecular Weight]

285.382
Chemical PropertiesBack Directory
[Boiling point ]

434.4±45.0 °C(Predicted)
[density ]

1.09±0.1 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,2-8°C
[form ]

Solid
[pka]

11.90±0.60(Predicted)
[InChI]

InChI=1S/C14H27N3O3/c1-14(2,3)20-13(19)16-11-8-9(6-7-10(11)15)12(18)17(4)5/h9-11H,6-8,15H2,1-5H3,(H,16,19)/t9-,10-,11+/m0/s1
[InChIKey]

JCHIBKSSZNWERE-GARJFASQSA-N
[SMILES]

C(OC(C)(C)C)(=O)N[C@@H]1C[C@@H](C(N(C)C)=O)CC[C@@H]1N
[CAS DataBase Reference]

365998-36-3
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Hazard InformationBack Directory
[Description]

Tert-butyl (1R,2S,5S)-2-aMino-5-(diMethylcarbaMoyl)cyclohexylcarbaMate is a pharmaceutical intermediate compound used in the preparation of Edoxaban. Edoxaban is an oral anticoagulant drug used for the treatment of strokes due to blood clots, thrombosis, heart disease and cirrhosis of the liver.
[Uses]

tert-Butyl [(1R,2S,5S)-2-Amino-5-[(dimethylamino)carbonyl]cyclohexyl]carbamate is a reagent used in the synthesis of cis-1,2-diaminocyclohexane derivative, which are factor Xa (fXa) inhibitors.
Spectrum DetailBack Directory
[Spectrum Detail]

(5H-Pyrrolo[3,4-d]thiazole-5-carboxylic acid,2-[[[(1R,2S,5S)-2-[[(5-chloro-1H-indol-2-yl)carbonyl]aMino]-5-[(diMethylaMino)carbonyl]cyclohexyl]aMino]carbonyl]-4,6-dihydro-,1,1-diMethylethyl ester(365998-36-3)1HNMR
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