CS-0498075
(2S,5R,6R)-6-((2S,5R,6R)-3,3-Dimethyl-6-((R)-2-(3-(methylsulfonyl)-2-oxoimidazolidine-1-carboxamido)-2-phenylacetamido)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Mezlocillin Impurity
Manufacturer: ChemScene
CAS Number: None
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₉H₃₅N₇O₁₀S₃
Molecular Weight
737.82
Synonyms
None
SMILES
CS(N(C1=O)CCN1C(N[C@@](C2=CC=CC=C2)([H])C(N[C@]3([H])C(N([C@]3([H])SC4(C)C)[C@@]4([H])C(N[C@@]5([H])[C@](SC(C)(C)[C@]6([H])C(O)=O)([H])N6C5=O)=O)=O)=O)=O)(=O)=O
Tpsa
222.91
Logp
-0.6867
H Acceptors
11
H Donors
4
Rotatable Bonds
8
Other Options
...
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₉H₃₅N₇O₁₀S₃
Molecular Weight: 737.82
Synonyms: None
SMILES: CS(N(C1=O)CCN1C(N[C@@](C2=CC=CC=C2)([H])C(N[C@]3([H])C(N([C@]3([H])SC4(C)C)[C@@]4([H])C(N[C@@]5([H])[C@](SC(C)(C)[C@]6([H])C(O)=O)([H])N6C5=O)=O)=O)=O)=O)(=O)=O
Tpsa: 222.91
Logp: -0.6867
H Acceptors: 11
H Donors: 4
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₃₅N₇O₁₀S₃
Molecular Weight:
737.82
Synonyms:
None
SMILES:
CS(N(C1=O)CCN1C(N[C@@](C2=CC=CC=C2)([H])C(N[C@]3([H])C(N([C@]3([H])SC4(C)C)[C@@]4([H])C(N[C@@]5([H])[C@](SC(C)(C)[C@]6([H])C(O)=O)([H])N6C5=O)=O)=O)=O)=O)(=O)=O
Tpsa:
222.91
Logp:
-0.6867
H Acceptors:
11
H Donors:
4
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₁N₃O₆S
Molecular Weight: 337.31
Synonyms: (6R,7R)-7-(4-Hydroxyisoxazole-3-carboxamido)-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-car
SMILES: OC(C1=C(C=C)CS[C@@]2([H])N1C([C@@]2([H])NC(C3=NOC=C3O)=O)=O)=O
Tpsa: 132.97
Logp: -0.0816
H Acceptors: 7
H Donors: 3
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₁N₃O₆S
Molecular Weight:
337.31
Synonyms:
(6R,7R)-7-(4-Hydroxyisoxazole-3-carboxamido)-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-car
SMILES:
OC(C1=C(C=C)CS[C@@]2([H])N1C([C@@]2([H])NC(C3=NOC=C3O)=O)=O)=O
Tpsa:
132.97
Logp:
-0.0816
H Acceptors:
7
H Donors:
3
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₁₈N₈O₇S₃
Molecular Weight: 566.59
Synonyms: None
SMILES: O=C1[C@@]([H])(NC(/C(C2=CSC(N)=N2)=N\OC)=O)[C@]3([H])N1C(C(NC4=NC(/C(C(O)=O)=N/OC)=CS4)=O)=CCS3
Tpsa: 210.79
Logp: -0.1101
H Acceptors: 14
H Donors: 4
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₁₈N₈O₇S₃
Molecular Weight:
566.59
Synonyms:
None
SMILES:
O=C1[C@@]([H])(NC(/C(C2=CSC(N)=N2)=N\OC)=O)[C@]3([H])N1C(C(NC4=NC(/C(C(O)=O)=N/OC)=CS4)=O)=CCS3
Tpsa:
210.79
Logp:
-0.1101
H Acceptors:
14
H Donors:
4
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₈N₂O₄S
Molecular Weight: 216.21
Synonyms: 6R-(6α,7β)]-7-Amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid 5-Oxide
SMILES: OC(C(N1[C@@]2([H])[C@@](N)([H])C1=O)=CCS2=O)=O
Tpsa: 100.7
Logp: -1.7872
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₈N₂O₄S
Molecular Weight:
216.21
Synonyms:
6R-(6α,7β)]-7-Amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid 5-Oxide
SMILES:
OC(C(N1[C@@]2([H])[C@@](N)([H])C1=O)=CCS2=O)=O
Tpsa:
100.7
Logp:
-1.7872
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
1