Dalian Richon Chem

CAS 365998-36-3

Chemistry, 7 End Use API, 42 Related Intermediates

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Also known as: 365998-36-3, Tert-butyl n-[(1r,2s,5s)-2-amino-5-(dimethylcarbamoyl)cyclohexyl]carbamate, Carbamic acid, n-[(1r,2s,5s)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]-, 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 ester, Mfcd22190570, Tert-butyl [(1r,2s,5s)-2-amino-5-(dimethylcarbamoyl)cyclohexyl]carbamate

Molecular Formula

C₁₄H₂₇N₃O₃

Molecular Weight

285.38 g/mol

InChI Key

JCHIBKSSZNWERE-GARJFASQSA-N

1 2D Structure

CAS 365998-36-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl N-[(1R,2S,5S)-2-amino-5-(dimethylcarbamoyl)cyclohexyl]carbamate

2.1.2 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

2.1.3 InChI Key

JCHIBKSSZNWERE-GARJFASQSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)NC1CC(CCC1N)C(=O)N(C)C

2.1.5 Isomeric SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 365998-36-3

2. Tert-butyl N-[(1r,2s,5s)-2-amino-5-(dimethylcarbamoyl)cyclohexyl]carbamate

3. Carbamic Acid, N-[(1r,2s,5s)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]-, 1,1-dimethylethyl Ester

4. (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

5. Mfcd22190570

6. Tert-butyl [(1r,2s,5s)-2-amino-5-(dimethylcarbamoyl)cyclohexyl]carbamate

7. Schembl4089866

8. Dtxsid40677331

9. Amy34046

10. Zinc138693248

11. Ac-30307

12. As-75483

13. Cs-0054366

14. Ert-butyl (1r,2s,5s)-2-amino-5-(dimethylcarbamoyl)cyclohexylcarbamate

15. Tert-butyl((1r,2s,5s)-2-amino-5-(dimethylcarbamoyl)cyclohexyl)carbamate

16. Tert-butyl(1r,2s,5s)-2-amino-5-[(dimethylamino)carbonyl]cyclohexylcarbamate

17. (1s,2r,4s)-n2-(tert-butoxycarbonyl)-4-(n,n-dimethylcarbamoyl)-1,2-cyclohexanediamine

18. [(1r,2s,5s)-2-amino-5-(dimethylcarbamoyl)cyclohexyl]carbamic Acid Tert-butyl Ester

19. Tert-butyl ((1r,2s,5s)-2-amino-5-((dimethylamino)carbonyl)cyclohexyl)carbamate

20. N-[(1r,2s,5s)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]-carbamic Acid, 1,1-dimethylethyl Ester

2.3 Create Date

2010-10-18

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₂₇N₃O₃
Molecular Weight	285.38 g/mol
XLogP3	0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	285.20524173 g/mol
Monoisotopic Mass	285.20524173 g/mol
Topological Polar Surface Area	84.7 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	363
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

720720-96-7

End Use API

Edoxaban Tosylate

About the Company

Dalian Richon Chem. Co., Ltd is a high-tech enterprise professionally involved in research and developmen...

Dalian Richon Chem. Co., Ltd is a high-tech enterprise professionally involved in research and development, manufacturing process and sales service of pharmaceutical intermediates and APIs. It has passed ISO9001:2000 international quality management system certificate. Its business scope includes development and manufacturing of APIs and pharmaceutical intermediates, contract development and manufacturing for domestic and international pharmaceutical companies, technical consultation, service and transfer.

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