CAS 54639-48-4 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: 54639-48-4, Ghyh, (6r,7r)-3-hydroxy-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid diphenyl methyl ester, 7-phenyl acetamido-3-hydroxy-3-cephem-4-carboxylic acid diphenylmethyl ester, Benzhydryl (6r,7r)-3-hydroxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, (6r,7r)-benzhydryl 3-hydroxy-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate
Molecular Formula
C28H24N2O5S
Molecular Weight
500.6  g/mol
InChI Key
HJINVAQLVZRFTL-YIXXDRMTSA-N

CAS 54639-48-4
1 2D Structure

CAS 54639-48-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
benzhydryl (6R,7R)-3-hydroxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
2.1.2 InChI
InChI=1S/C28H24N2O5S/c31-21-17-36-27-23(29-22(32)16-18-10-4-1-5-11-18)26(33)30(27)24(21)28(34)35-25(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,23,25,27,31H,16-17H2,(H,29,32)/t23-,27-/m1/s1
2.1.3 InChI Key
HJINVAQLVZRFTL-YIXXDRMTSA-N
2.1.4 Canonical SMILES
C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)O
2.1.5 Isomeric SMILES
C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 54639-48-4

2. Ghyh

3. (6r,7r)-3-hydroxy-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid Diphenyl Methyl Ester

4. 7-phenyl Acetamido-3-hydroxy-3-cephem-4-carboxylic Acid Diphenylmethyl Ester

5. Benzhydryl (6r,7r)-3-hydroxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

6. (6r,7r)-benzhydryl 3-hydroxy-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate

7. 3(6r,7r)-hydroxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Ac

8. Benzhydryl (6r,7r)-3-hydroxy-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

9. Ec 611-177-4

10. Schembl9698012

11. Dtxsid40716259

12. Bcp12087

13. Mfcd00191259

14. Zinc21991808

15. Akos015888296

16. Ac-7595

17. As-11706

18. Cs-0368226

19. 639p484

20. A830278

21. Benzhydryl 7beta-phenylacetamido-3-hydroxy-ceph-3-em-4-carboxylate

22. Benzhydryl 7beta-[(phenylacetyl)amino]-3-hydroxy-3-cephem-4-carboxylate

23. 3-hydroxy-7beta-(phenylacetylamino)cepham-3-ene-4-carboxylic Acid Diphenylmethyl Ester

24. 3-hydroxy-7beta-phenylacetylamino-3-cephem-4-carboxylic Acid Diphenylmethyl Ester

25. (6r,7r)-benzhydryl3-hydroxy-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

26. 6r,7r)-3-hydroxy-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid Diphenyl Methyl Ester

27. Benzhydryl(6r,7r)-3-hydroxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

28. Diphenylmethyl (6r,7r)-3-hydroxy-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

2.3 Create Date
2011-12-26
3 Chemical and Physical Properties
Molecular Weight 500.6 g/mol
Molecular Formula C28H24N2O5S
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass500.14059304 g/mol
Monoisotopic Mass500.14059304 g/mol
Topological Polar Surface Area121 Ų
Heavy Atom Count36
Formal Charge0
Complexity840
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
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