Cefaparole

Cefaparole
Identifiers
	IUPAC name (6R,7R)-7-{[(2R)-2-Amino-2-(4-hydroxyphenyl)acetyl]amino}-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;
CAS Number	51627-20-4;
PubChem CID	17397561;
DrugBank	111;
ChemSpider	8588813;
UNII	HW64W823GC;
KEGG	D03421;
ChEMBL	ChEMBL2104067;
CompTox Dashboard (EPA)	DTXSID801023695 ;
ECHA InfoCard	100.052.097
Chemical and physical data
Formula	C19H19N5O5S3
Molar mass	493.57 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES Cc1nnc(s1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)[C@@H](c4ccc(cc4)O)N)SC2)C(=O)O;
	InChI InChI=1S/C19H19N5O5S3/c1-8-22-23-19(32-8)31-7-10-6-30-17-13(16(27)24(17)14(10)18(28)29)21-15(26)12(20)9-2-4-11(25)5-3-9/h2-5,12-13,17,25H,6-7,20H2,1H3,(H,21,26)(H,28,29)/t12-,13-,17-/m1/s1; Key:SBUCDZYLTRYMFG-PBFPGSCMSA-N;

Cefaparole (cephaparole) is a cephem antibiotic of the cephalosporin subclass^[1] that was never marketed.

References

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Identifiers

IUPAC name (6R,7R)-7-{[(2R)-2-Amino-2-(4-hydroxyphenyl)acetyl]amino}-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Number	51627-20-4
PubChem CID	17397561
DrugBank	111
ChemSpider	8588813
UNII	HW64W823GC
KEGG	D03421
ChEMBL	ChEMBL2104067
CompTox Dashboard (EPA)	DTXSID801023695
ECHA InfoCard	100.052.097
Chemical and physical data
Formula	C₁₉H₁₉N₅O₅S₃
Molar mass	493.57 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES Cc1nnc(s1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)[C@@H](c4ccc(cc4)O)N)SC2)C(=O)O
InChI InChI=1S/C19H19N5O5S3/c1-8-22-23-19(32-8)31-7-10-6-30-17-13(16(27)24(17)14(10)18(28)29)21-15(26)12(20)9-2-4-11(25)5-3-9/h2-5,12-13,17,25H,6-7,20H2,1H3,(H,21,26)(H,28,29)/t12-,13-,17-/m1/s1 Key:SBUCDZYLTRYMFG-PBFPGSCMSA-N