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Ceftazidime pentahydrate

CAT: 0063-77145852-1gSize: 1 gDry Ice: NoHazardous: No
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CAS Number
78439-06-2
Molecular Formula
C22H32N6O12S2
Molecular Weight
636.65
Formulation
C22H32N6O12S2

Chemical Information

Ceftazidime Pentahydrate

Ceftazidime pentahydrate is a hydrate that is the pentahydrate of ceftazidime, a cephalosporin having 7beta-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino and 3-pyridinium-1-ylmethyl side-groups. It contains a ceftazidime.

CAS Number78439-06-2
PubChem CID6536864
IUPAC Name(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;pentahydrate
Molecular FormulaC22H32N6O12S2
Molecular Weight636.7
Topological Polar Surface Area250
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count17
Rotatable Bond Count8
Heavy Atom Count42
Formal Charge0
Complexity1020
SMILES
CC(C)(C(=O)O)O/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)[O-].O.O.O.O.O
InChI
InChI=1S/C22H22N6O7S2.5H2O/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27;;;;;/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34);5*1H2/b26-13-;;;;;/t14-,18-;;;;;/m1...../s1
InChIKey
NMVPEQXCMGEDNH-TZVUEUGBSA-N
Chemical Structure
2D Structure
2D structure of Ceftazidime Pentahydrate
CAS: 78439-06-2
CID: 6536864
Formula: C22H32N6O12S2
MW: 636.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight636.7
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count17
Rotatable Bond Count8
Exact Mass636.15196282
Monoisotopic Mass636.15196282
Topological Polar Surface Area250 Ų
Heavy Atom Count42
Formal Charge0
Complexity1020
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count6
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS3611386Ceftazidime Pentahydrate
HY-B0593A-01Ceftazidime (pentahydrate)
HY-B0593AR-01Ceftazidime (pentahydrate) (Standard)
268043-01Ceftazidime pentahydrate discontinued. See 236818
MBS539935-01Ceftazidime Pentahydrate (USP grade powder)
MBS6063448-01Ceftazidime Pentahydrate (contains 1 Eq of Na2CO3 as stabilizer)
TRC-C244100-1GCeftazidime Pentahydrate(Contain 1 equivalent of Na2CO3 as stabilizer)
TRC-C244100-25MGCeftazidime Pentahydrate (Contain 1 equivalent of Na2CO3 as stabilizer)
236818-01Ceftazidime Pentahydrate, 95.0-102.0% (HPLC) USP
005897Ceftazidime Pentahydrate (contains 1 Eq of Na2CO3 as stabilizer) discontinued. See 236818

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