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CAS 196404-55-4 manufacturers and suppliers on PharmaCompass

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(4S,5R)-2-(4-methoxyphenyl)-4-phenyl-3,5-Oxazolidinedicarboxylic acid 3-(1,1-dimethylethyl)ester
Also known as: 196404-55-4, (4s,5r)-3-tert-butoxycarbony-2-(4-anisyl)-4-phenyl-5-oxazolidinecarboxylic acid, (4s,5r)-2-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-1,3-oxazolidine-5-carboxylic acid, (4s,5r)-3-tert-butoxycarbony-2-(4-anisyl)-4- phenyl-5-oxazolidine carboxylic acid, Schembl7134268, Amy9146
Molecular Formula
C22H25NO6
Molecular Weight
399.4  g/mol
InChI Key
MSVWUXLRSKRKFZ-PAMZHZACSA-N

1 2D Structure

(4S,5R)-2-(4-methoxyphenyl)-4-phenyl-3,5-Oxazolidinedicarboxylic acid 3-(1,1-dimethylethyl)ester

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(4S,5R)-2-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-1,3-oxazolidine-5-carboxylic acid
2.1.2 InChI
InChI=1S/C22H25NO6/c1-22(2,3)29-21(26)23-17(14-8-6-5-7-9-14)18(20(24)25)28-19(23)15-10-12-16(27-4)13-11-15/h5-13,17-19H,1-4H3,(H,24,25)/t17-,18+,19?/m0/s1
2.1.3 InChI Key
MSVWUXLRSKRKFZ-PAMZHZACSA-N
2.1.4 Canonical SMILES
CC(C)(C)OC(=O)N1C(C(OC1C2=CC=C(C=C2)OC)C(=O)O)C3=CC=CC=C3
2.1.5 Isomeric SMILES
CC(C)(C)OC(=O)N1[C@H]([C@@H](OC1C2=CC=C(C=C2)OC)C(=O)O)C3=CC=CC=C3
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 196404-55-4

2. (4s,5r)-3-tert-butoxycarbony-2-(4-anisyl)-4-phenyl-5-oxazolidinecarboxylic Acid

3. (4s,5r)-2-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-1,3-oxazolidine-5-carboxylic Acid

4. (4s,5r)-3-tert-butoxycarbony-2-(4-anisyl)-4- Phenyl-5-oxazolidine Carboxylic Acid

5. Schembl7134268

6. Amy9146

7. Dtxsid10457445

8. Mfcd09837613

9. Akos015902337

10. Ac-23877

11. As-11439

12. Cs-0022809

13. F13036

14. 404b554

15. A880096

16. (4s,5r)-3-(tert-butoxycarbonyl)-2-(4-methoxyphenyl)-4-phenyloxazolidine-5-carboxylicacid

17. (4s,5r)-3-tert-butoxycarbonyl-2-(4-anisyl)-4-phenyl-5-oxazolidinecarboxylic Acid

18. (4s,5r)-2-(4-methoxyphenyl)-3-(tert-butyloxycarbonyl)-4-phenyloxazolidine-5-carboxylic Acid

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 399.4 g/mol
Molecular Formula C22H25NO6
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass399.16818752 g/mol
Monoisotopic Mass399.16818752 g/mol
Topological Polar Surface Area85.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity574
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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Shanghai Daishang Chemical Co., Ltd. established in January 2005, sticking to the guiding principle "Technical innovation, Quality Orientation", we practice best of technology innovation, optimized management and robust service system for our customers. Daishang Chem is specialized in the researching, manufacturing, sales and marketing of API & Its Intermediates as well as other Fine Chemicals, taking great advantages of professional and proficient staff, based on three chemical manufacturing sites and one GMP manufacturing workshops in Liaoning, Henan and Zhejiang provinces, and one R&D laboratory in Zhangjiang Hi-tech Park.
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