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Cefoperazone sodium salt

CAT: 0063-45309164-5gSize: 5 gDry Ice: NoHazardous: No
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CAT#:0063-45309164-5gSize:5 g
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CAS Number
62893-20-3
Molecular Formula
C25H26N9NaO8S2
Molecular Weight
667.65

Chemical Information

Cefoperazone Sodium

Cefoperazone sodium is an organic molecular entity.

CAS Number62893-20-3
PubChem CID23663974
IUPAC Namesodium (6R,7R)-7-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular FormulaC25H26N9NaO8S2
Molecular Weight667.7
Topological Polar Surface Area274
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Heavy Atom Count45
Formal Charge0
Complexity1250
SMILES
CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=C(C=C2)O)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)[O-].[Na+]
InChI
InChI=1S/C25H27N9O8S2.Na/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2;/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41);/q;+1/p-1/t15-,16-,22-;/m1./s1
InChIKey
NCFTXMQPRQZFMZ-WERGMSTESA-M
Chemical Structure
2D Structure
2D structure of Cefoperazone Sodium
CAS: 62893-20-3
CID: 23663974
Formula: C25H26N9NaO8S2
MW: 667.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight667.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Exact Mass667.12434545
Monoisotopic Mass667.12434545
Topological Polar Surface Area274 Ų
Heavy Atom Count45
Formal Charge0
Complexity1250
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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