Saptagir Laboratories

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

1243308-37-3

End Use API

Edoxaban Tosylate

About the Company

Saptagir Laboratories Private incorporated in 2016, is a manufacturer and supplier of Active Pharmaceutic...

Saptagir Laboratories Private incorporated in 2016, is a manufacturer and supplier of Active Pharmaceutical Ingredients (APIs) and Intermediates for a wide range of therapeutic categories specifically focusing on Anti-Fungal and Anti-Platelets. Our vision is to attain market leadership in development of innovator molecules for the domestic and export market. We are one of the leading manufacturers in Asia for Terbinafine Hydrochloride, Prasugrel, Ezetimibe, Solifenacine Succinate and Pregabalin. DMF and EU Written Confirmation is available for our premier product; Terbinafine Hydrochloride. CEP & Korean DMF are under filing.

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