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Mezlocillin Sodium

CAT: 0572-TRC-M340850-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M340850-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
42057-22-7
Synonyms
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-[[(2R)-2-[[[3-(methylsulfonyl)-2-oxo-1-imidazolidinyl]carbonyl]amino]-2-phenylacetyl]amino]-7-oxo-, sodium salt (1:1), (2S,5R,6R)-; 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-[[(2R)-[[[3-(methylsulfonyl)-2-oxo-1-imidazolidinyl]carbonyl]amino]phenylacetyl]amino]-7-oxo-, monosodium salt, (2S,5R,6R)- (9CI); 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-[[[[[3-(methylsulfonyl)-2-oxo-1-imidazolidinyl]carbonyl]amino]phenylacetyl]amino]-7-oxo-, monosodium salt, [2S-[2α,5α,6β(S*)]]-; (2S,5R,6R)-3,3-Dimethyl-6-[[(2R)-2-[[[3-(methylsulfonyl)-2-oxo-1-imidazolidinyl]carbonyl]amino]-2-phenylacetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid Sodium Salt; (2S,5R,6R)-3,3-Dimethyl-6-[[(2R)-[[[3-(methylsulfonyl)-2-oxo-1-imidazolidinyl]carbonyl]amino]phenylacetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid Monosodium Salt ; [2S-[2α,5α,6β(S*)]]-3,3-Dimethyl-6-[[[[[3-(methylsulfonyl)-2-oxo-1-imidazolidinyl]carbonyl]amino]phenylacetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid Monosodium Salt; Baycipen; Baypen; Mezlin; Mezlocillin sodium salt; Monosodium mezlocillin; Sodium mezlocillin
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
[Na+].CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(C3=O)S(=O)(=O)C)c4ccccc4)C(=O)N2[C@H]1C(=O)[O-]
Molecular Formula
C21 H24 N5 O8 S2 . Na
Molecular Weight
561.5637
InChI
InChI=1S/C21H25N5O8S2.Na/c1-21(2)14(18(29)30)26-16(28)13(17(26)35-21)22-15(27)12(11-7-5-4-6-8-11)23-19(31)24-9-10-25(20(24)32)36(3,33)34;/h4-8,12-14,17H,9-10H2,1-3H3,(H,22,27)(H,23,31)(H,29,30);/q;+1/p-1/t12-,13-,14+,17-;/m1./s1
Additionnal Information
IUPAC name: sodium;(2S,5R,6R)-3,3-dimethyl-6-[[(2R)-2-[(3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Mezlocillin Sodium

Mezlocillin sodium is an organic sodium salt. It contains a mezlocillin(1-).

CAS Number42057-22-7
PubChem CID23685177
IUPAC Namesodium (2S,5R,6R)-3,3-dimethyl-6-[[(2R)-2-[(3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Molecular FormulaC21H24N5NaO8S2
Molecular Weight561.6
Topological Polar Surface Area210
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count37
Formal Charge0
Complexity1090
SMILES
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)NC(=O)N4CCN(C4=O)S(=O)(=O)C)C(=O)[O-])C.[Na+]
InChI
InChI=1S/C21H25N5O8S2.Na/c1-21(2)14(18(29)30)26-16(28)13(17(26)35-21)22-15(27)12(11-7-5-4-6-8-11)23-19(31)24-9-10-25(20(24)32)36(3,33)34;/h4-8,12-14,17H,9-10H2,1-3H3,(H,22,27)(H,23,31)(H,29,30);/q;+1/p-1/t12-,13-,14+,17-;/m1./s1
InChIKey
GTGQRSIMEUWHPA-ZBJAFUORSA-M
Chemical Structure
2D Structure
2D structure of Mezlocillin Sodium
CAS: 42057-22-7
CID: 23685177
Formula: C21H24N5NaO8S2
MW: 561.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight561.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass561.09639937
Monoisotopic Mass561.09639937
Topological Polar Surface Area210 Ų
Heavy Atom Count37
Formal Charge0
Complexity1090
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
B1790-5.1Mezlocillin Sodium
HY-B1466-01Mezlocillin (sodium)
B4959-50Mezlocillin Sodium Monohydrate
M39532Mezlocillin sodium b
HY-B1466RMezlocillin (sodium) (Standard)
MBS539966Mezlocillin sodium (USP grade powder)
T6582LMezlocillin

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