CAS 949023-16-9 manufacturers and suppliers on PharmaCompass

PharmaCompass

Chemistry

Click the arrow to open the dropdown
read-moreClick the button for full data set
Also known as: 949023-16-9, (4s,5r)-3-benzoyl-2-(4-methoxyphenyl)-4-phenyl-5-oxazolidinecarboxylic acid, (4s,5r)-3-benzoyl-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylic acid, Schembl7071105, Dtxsid40453238, Amy21997
Molecular Formula
C24H21NO5
Molecular Weight
403.4  g/mol
InChI Key
RDVJYGYJBUIIOE-ZOAFEQKISA-N

CAS 949023-16-9
1 2D Structure

CAS 949023-16-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(4S,5R)-3-benzoyl-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylic acid
2.1.2 InChI
InChI=1S/C24H21NO5/c1-29-19-14-12-18(13-15-19)23-25(22(26)17-10-6-3-7-11-17)20(21(30-23)24(27)28)16-8-4-2-5-9-16/h2-15,20-21,23H,1H3,(H,27,28)/t20-,21+,23?/m0/s1
2.1.3 InChI Key
RDVJYGYJBUIIOE-ZOAFEQKISA-N
2.1.4 Canonical SMILES
COC1=CC=C(C=C1)C2N(C(C(O2)C(=O)O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4
2.1.5 Isomeric SMILES
COC1=CC=C(C=C1)C2N([C@H]([C@@H](O2)C(=O)O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 949023-16-9

2. (4s,5r)-3-benzoyl-2-(4-methoxyphenyl)-4-phenyl-5-oxazolidinecarboxylic Acid

3. (4s,5r)-3-benzoyl-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylic Acid

4. Schembl7071105

5. Dtxsid40453238

6. Amy21997

7. Mfcd11617943

8. (4s,5r)-3-benzoyl-2-(4-anisyl)-4-phenyl-5-oxazolidinecarboxylic Acid

9. Akos015904212

10. Ac-22280

11. Ds-18606

12. Cs-0150397

13. F13037

14. 617b943

15. (4s,5r)-2-(4-methoxyphenyl)-n-benzoyl-4-phenyl-oxazolidine-5-carboxylic Acid

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

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 403.4 g/mol
Molecular Formula C24H21NO5
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass403.14197277 g/mol
Monoisotopic Mass403.14197277 g/mol
Topological Polar Surface Area76.1 Ų
Heavy Atom Count30
Formal Charge0
Complexity590
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

Upload your portfolio for free, ask us

END USE APIs

read-more
read-more
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty