(6R,7R)-3-(Acetoxymethyl)-7-{[(2R)-2-amino-2-phenylacetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Basic Information

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CAS Number

3577-01-3

Molecular Formula

C18H19N3O6S

Molecular Weight

405.43 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

236.5°C (rough estimate)

Boiling Point

217.4°C (rough estimate)

Flash Point

414.5 ℃

Refractive Index

1.6390 (estimate)

SMILES

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CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O

InChI

InChI=1S/C18H19N3O6S/c1-9(22)27-7-11-8-28-17-13(16(24)21(17)14(11)18(25)26)20-15(23)12(19)10-5-3-2-4-6-10/h2-6,12-13,17H,7-8,19H2,1H3,(H,20,23)(H,25,26)/t12-,13-,17-/m1/s1

InChIKey

FUBBGQLTSCSAON-PBFPGSCMSA-N

LogP

-0.011899999999999189

Topological Polar Surface Area

139.02999999999997 Å²

Hydrogen Bond Donor/Acceptor

4 / 9

Complexity

718

Synonyms & References

English

(6R,7R)-3-(acetoxymethyl)-7-(((2R)-2-amino-2-phenylacetyl)amino)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
7-(D-2-Amino-2-phenylacetamido)-3-acetoxymethyl-delta(sup3)-cephem-4-carboxylic acid
Cefaloglycin [INN]
(6R,7R)-7-((R)-2-AMINO-2-PHENYLACETAMIDO)-3-(HYDROXYMETHYL)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID ACETATE (ESTER)
NCGC00521078-02
EN300-19734691
CS-0006156
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-[(acetyloxy)methyl]-7-[[(2R)-aminophenylacetyl]amino]-8-oxo-,(6R,7R)-
DB00689
HY-16137
3-((Acetyloxy)methyl)-7-((aminophenylacetyl)amino)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
(6R,7R)-3-[(acetyloxy)methyl]-7-[(2R)-2-amino-2-phenylacetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Cefaloglycin (JAN)
UNII-HD2D469W6U
FUBBGQLTSCSAON-PBFPGSCMSA-N
NS00011574
Cefaloglycinum
HSDB 3214
Epitope ID:174844
Cefaloglicina [INN-Spanish]
Cefaloglicina
Cefaloglycin
Cefaloglicina (INN-Spanish)
(6R,7R)-3-[(acetyloxy)methyl]-7-{[(2R)-2-amino-2-phenylacetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
D-Cephaloglycine
CEPHALOGLYCIN [HSDB]
Kefocin
CEFALOGLYCIN [JAN]
D01949
7-(D-2-Amino-2-phenylacetamido)-3-acetoxymethyl-delta(sup 3)-cephem-4-carboxylic acid
CHEBI:34613