CAS 365997-33-7

Chemistry, 2 End Use API, 47 Related Intermediates

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Also known as: 365997-33-7, Ethyl (1s,3r,4r)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate, (1s,3r,4r)-ethyl 3-((tert-butoxycarbonyl)amino)-4-hydroxycyclohexanecarboxylate, Ethyl (1s,3r,4r)-3-{[(tert-butoxy)carbonyl]amino}-4-hydroxycyclohexane-1-carboxylate, Schembl740803, Mfcd23106245

Molecular Formula

C₁₄H₂₅NO₅

Molecular Weight

287.35 g/mol

InChI Key

YFFMJGAVWORNIZ-HBNTYKKESA-N

1 2D Structure

CAS 365997-33-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl (1S,3R,4R)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate

2.1.2 InChI

InChI=1S/C14H25NO5/c1-5-19-12(17)9-6-7-11(16)10(8-9)15-13(18)20-14(2,3)4/h9-11,16H,5-8H2,1-4H3,(H,15,18)/t9-,10+,11+/m0/s1

2.1.3 InChI Key

YFFMJGAVWORNIZ-HBNTYKKESA-N

2.1.4 Canonical SMILES

CCOC(=O)C1CCC(C(C1)NC(=O)OC(C)(C)C)O

2.1.5 Isomeric SMILES

CCOC(=O)[C@H]1CC[C@H]([C@@H](C1)NC(=O)OC(C)(C)C)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 365997-33-7

2. Ethyl (1s,3r,4r)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate

3. (1s,3r,4r)-ethyl 3-((tert-butoxycarbonyl)amino)-4-hydroxycyclohexanecarboxylate

4. Ethyl (1s,3r,4r)-3-{[(tert-butoxy)carbonyl]amino}-4-hydroxycyclohexane-1-carboxylate

5. Schembl740803

6. Mfcd23106245

7. Zinc95743356

8. Pb38281

9. Ethyl (1s,3r,4r)-3-(tert-butoxycarbonylamino)-4-hydroxycyclohexane-1-carboxylate

10. Ac-30637

11. As-34208

12. Cs-0049571

13. (1s,3r,4r)-3-(boc-amino)-4-hydroxycyclohexanecarboxylic Acid Ethyl Ester

14. (1s,3r,4r)-ethyl 3-(tert-butoxycarbonylamino)-4-hydroxycyclohexanecarboxylate

15. (1s,3r,4r)-ethyl3-((tert-butoxycarbonyl)amino)-4-hydroxycyclohexanecarboxylate

2.3 Create Date

2012-08-20

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₂₅NO₅
Molecular Weight	287.35 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	287.17327290 g/mol
Monoisotopic Mass	287.17327290 g/mol
Topological Polar Surface Area	84.9 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	350
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

365997-33-7

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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