cefazolin

cefazolin

CAS: 25953-19-9

Formula: C14H14N8O4S3

SMILES: CC1=NN=C(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)CN2C=NN=N2)C3=O)C(O)=O)S1

IUPAC: (6R,7R)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-[2-(1H-1,2,3,4-tetrazol-1-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

InChI: InChI=1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)/t9-,12-/m1/s1

Composition: C (37.00%), H (3.10%), N (24.65%), O (14.08%), S (21.16%)

Molar Mass: 454.5

Atom Count: 43

Heavy Atom Count: 29

Properties

Properties

Common Names	cefamezin; cefazolin; cefazolina; cefazolinum; cephamezine; cephazolidin; cephazoline
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	454.030014485
Formal Charge	0
FSP3	0.43
Hetero Ring Count	4
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	2
InChIKey	MLYYVTUWGNIJIB-BXKDBHETSA-N
Lipinski's Rule of Five	1
Molar Refractivity	119.86
Topological Polar Surface Area	156.09
Polarizability	39.86
Ring Count	4
Rotatable Bond Count	7

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Purity	LeadTime	CAS		UnitPrice
98%	<14 Days	25953-19-9		Quote Only