CAS 204255-06-1

Chemistry, 2 End Use API, 11 Related Intermediates

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Also known as: 204255-06-1, Ethyl (3r,4r,5s)-4-acetamido-5-azido-3-pentan-3-yloxycyclohexene-1-carboxylate, 1-cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-azido-3-(1-ethylpropoxy)-, ethyl ester, (3r,4r,5s)-, Schembl13448858, Dtxsid30942606, Zinc22012077

Molecular Formula

C₁₆H₂₆N₄O₄

Molecular Weight

338.40 g/mol

InChI Key

MPTCBJSPQVJIPZ-RRFJBIMHSA-N

1 2D Structure

CAS 204255-06-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl (3R,4R,5S)-4-acetamido-5-azido-3-pentan-3-yloxycyclohexene-1-carboxylate

2.1.2 InChI

InChI=1S/C16H26N4O4/c1-5-12(6-2)24-14-9-11(16(22)23-7-3)8-13(19-20-17)15(14)18-10(4)21/h9,12-15H,5-8H2,1-4H3,(H,18,21)/t13-,14+,15+/m0/s1

2.1.3 InChI Key

MPTCBJSPQVJIPZ-RRFJBIMHSA-N

2.1.4 Canonical SMILES

CCC(CC)OC1C=C(CC(C1NC(=O)C)N=[N+]=[N-])C(=O)OCC

2.1.5 Isomeric SMILES

CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N=[N+]=[N-])C(=O)OCC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 204255-06-1

2. Ethyl (3r,4r,5s)-4-acetamido-5-azido-3-pentan-3-yloxycyclohexene-1-carboxylate

3. 1-cyclohexene-1-carboxylic Acid, 4-(acetylamino)-5-azido-3-(1-ethylpropoxy)-, Ethyl Ester, (3r,4r,5s)-

4. Schembl13448858

5. Dtxsid30942606

6. Zinc22012077

7. Akos015901826

8. 1-cyclohexene-1-carboxylic Acid,4-(acetylamino)-5-azido-3-(1-ethylpropoxy)-, Ethyl Ester, (3r,4r,5s)-

9. Ethyl (3r, 4r, 5s)-4-acetamido-5-azido-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate

10. Ethyl (3r,4r,5s)-4-(acetylamino)-5-azido-3-(1-ethyl Propoxy)-1-cyclohexene-1-carboxylate

11. Ethyl (3r,4r,5s)-4-(acetylamino)-5-azido-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate

12. Ethyl (3r,4r,5s)-4-(acetylamino)-5-azido-3-(1-ethylpropoxy)cyclohex-1-ene-1-carboxylate

13. Ethyl (3r,4r,5s)-4-acetamido-5-azido-3-(3-pentyloxy)cyclohex-1-ene-carboxylate

14. N-{6-azido-4-(ethoxycarbonyl)-2-[(pentan-3-yl)oxy]cyclohex-3-en-1-yl}ethanimidic Acid

15. (3r,4r,5s)-4-acetylamino-5-azido-3-(1-ethyl-propoxy)cyclohex-1-enecarboxylic Acid Ethyl Ester

16. (3r,4r,5s)-4-acetylamino-5-azido-3-(1-ethylpropoxy)cyclohex-1-enecarboxylic Acid Ethyl Ester

17. 3beta-(1-ethylpropoxy)-4alpha-(acetylamino)-5beta-azidocyclohexene-1-carboxylic Acid Ethyl Ester

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₂₆N₄O₄
Molecular Weight	338.40 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	338.19540532 g/mol
Monoisotopic Mass	338.19540532 g/mol
Topological Polar Surface Area	79 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	524
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

204255-06-1

End Use API

Oseltamivir Phosphate

About the Company

Alkaloids is a family company established in 1967. Starting with production of natural Caffeine, quite a...

Alkaloids is a family company established in 1967. Starting with production of natural Caffeine, quite a number of speciality products have been added to our portfolio. The Company is dedicated to identification, development, production & distribution of potent Phytochemicals and Botanical extracts. A number of Phytochemicals manufactured by Alkaloids are used as Active Pharmaceutical Ingredients by major drug formulators the world over. We are internationally recognised as a reliable supplier of high quality Phyto-products. Alkaloids also manufactures custom-made products on exclusive basis for our valued customers.

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Ethyl (3R,4R,5S)-4-acetamido-5-azido-3-(1- ethylpropoxy...

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CAS Number

204255-06-1

End Use API

Oseltamivir Phosphate

About the Company

TEXLAB INDUSTRIES was established in 1971, manufacturing & trading related business. TEXLAB INDUSTRIES - ...

TEXLAB INDUSTRIES was established in 1971, manufacturing & trading related business. TEXLAB INDUSTRIES - company launched by Late Shree AMBALAL MISTRY for local and global region with the name of TEXLAB INDUSTRIES with various equipments for Textile Laboratory Testing Equipments in the field of textile testing services and also in textile laboratory processing in terms of manufacturing & trading in the day to day market. To begin with we started mfg. of textile testing equipments like Wrap Reel, Twist Tester, Lea Strength Tester, Yarn Appearance Board Winding Machine & Tensile Testers etc.

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