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7-Phenyl Acetamido-3-Hydroxy-3-Cephem-4-Carboxylic Acid Diphenylmethyl Ester , 3-Oh manufacturers and suppliers on PharmaCompass

PharmaCompass
7-Phenyl Acetamido-3-Hydroxy-3-Cephem-4-Carboxylic Acid Diphenylmethyl Ester , 3-Oh
Also known as: Schembl6881868, Akos015964611, Db-052620, Ft-0640265
Molecular Formula
C28H24N2O5S
Molecular Weight
500.6  g/mol
InChI Key
HJINVAQLVZRFTL-UHFFFAOYSA-N

1 2D Structure

7-Phenyl Acetamido-3-Hydroxy-3-Cephem-4-Carboxylic Acid Diphenylmethyl Ester , 3-Oh

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
benzhydryl 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)
2.1.3 InChI Key
HJINVAQLVZRFTL-UHFFFAOYSA-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
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Schembl6881868

2. Akos015964611

3. Db-052620

4. Ft-0640265

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 Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Flag China
Digital Content Digital Content
URL Supplier Web Content
54639-48-4
Cephalosporin
Suzhou Tianlu Bio-pharmaceutical Co.,Ltd., established in Dec.1999 covering an area of 26,666 square mete...
Suzhou Tianlu Bio-pharmaceutical Co.,Ltd., established in Dec.1999 covering an area of 26,666 square meters, is a high-tech shareholding company with a total investment of one hundred millionyuan. As an influential producer of cholic products both in China and abroad, our company specializes in researching, developing, manufacturing and marketing biological APIs and pharmaceutical intermediates. At present, we have 10 invention patents and establish a technology research center of cholic products that undertakesmultiple national projects.
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