Indian Tex Dyes Industries

CAS 651324-08-2

Chemistry, 3 End Use API, 10 Related Intermediates

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Also known as: 651324-08-2, Ethyl (3r,4r,5s)-4-n-acetyl(1,1-dimethylethyl)amino-5-n,n-diallylamino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate monohydrochloride, Ethyl (3r,4r,5s)-4-(n-(tert-butyl)acetamido)-5-(diallylamino)-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate hydrochloride, Ethyl (3r,4r,5s)-4-[acetyl(tert-butyl)amino]-5-[bis(prop-2-enyl)amino]-3-pentan-3-yloxycyclohexene-1-carboxylate;hydrochloride, Dfo-10, Dtxsid70670032

Molecular Formula

C₂₆H₄₅ClN₂O₄

Molecular Weight

485.1 g/mol

InChI Key

PUBKCMTVXFIUCX-BAUONJEJSA-N

1 2D Structure

CAS 651324-08-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl (3R,4R,5S)-4-[acetyl(tert-butyl)amino]-5-[bis(prop-2-enyl)amino]-3-pentan-3-yloxycyclohexene-1-carboxylate;hydrochloride

2.1.2 InChI

InChI=1S/C26H44N2O4.ClH/c1-10-15-27(16-11-2)22-17-20(25(30)31-14-5)18-23(32-21(12-3)13-4)24(22)28(19(6)29)26(7,8)9;/h10-11,18,21-24H,1-2,12-17H2,3-9H3;1H/t22-,23+,24+;/m0./s1

2.1.3 InChI Key

PUBKCMTVXFIUCX-BAUONJEJSA-N

2.1.4 Canonical SMILES

CCC(CC)OC1C=C(CC(C1N(C(=O)C)C(C)(C)C)N(CC=C)CC=C)C(=O)OCC.Cl

2.1.5 Isomeric SMILES

CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1N(C(=O)C)C(C)(C)C)N(CC=C)CC=C)C(=O)OCC.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 651324-08-2

2. Ethyl (3r,4r,5s)-4-n-acetyl(1,1-dimethylethyl)amino-5-n,n-diallylamino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate Monohydrochloride

3. Ethyl (3r,4r,5s)-4-(n-(tert-butyl)acetamido)-5-(diallylamino)-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate Hydrochloride

4. Ethyl (3r,4r,5s)-4-[acetyl(tert-butyl)amino]-5-[bis(prop-2-enyl)amino]-3-pentan-3-yloxycyclohexene-1-carboxylate;hydrochloride

5. Dfo-10

6. Dtxsid70670032

7. Akos015964401

8. Ac-25904

9. Bs-49599

10. Cs-0092580

11. H11230

12. 324a082

13. A848322

14. (3r,4r,5s)-ethyl 4-(n-(tert-butyl)acetamido)-5-(diallylamino)-3-(pentan-3-yloxy)cyclohex-1-enecarboxylate Hcl

15. (3r,4r,5s)-ethyl4-(n-(tert-butyl)acetamido)-5-(diallylamino)-3-(pentan-3-yloxy)cyclohex-1-enecarboxylatehydrochloride

16. Ethyl (3r,4r,5s)-4-[acetyl(tert-butyl)amino]-5-[di(prop-2-en-1-yl)amino]-3-[(pentan-3-yl)oxy]cyclohex-1-ene-1-carboxylate--hydrogen Chloride (1/1)

2.3 Create Date

2010-05-14

3 Chemical and Physical Properties

Molecular Formula	C₂₆H₄₅ClN₂O₄
Molecular Weight	485.1 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	14
Exact Mass	484.3067856 g/mol
Monoisotopic Mass	484.3067856 g/mol
Topological Polar Surface Area	59.1 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	666
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	2

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Ethyl (3R, 4S, 5S)-4, N-acetyl (1,1-dimethyl ethyl) ami...

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CAS Number

651324-08-2

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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