CS-0498086
(2R,4S)-2-((S)-Carboxy((R)-2-(3-(methylsulfonyl)-2-oxoimidazolidine-1-carboxamido)-2-phenylacetamido)methyl)-5,5-dimethylthiazolidine-4-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
C₂₁H₂₇N₅O₉S₂
Molecular Weight
557.60
Synonyms
None
SMILES
CS(N(C1=O)CCN1C(N[C@@](C2=CC=CC=C2)([H])C(N[C@@H](C(O)=O)[C@@]3([H])SC(C)(C)[C@@](C(O)=O)([H])N3)=O)=O)(=O)=O
Tpsa
202.52
Logp
-0.4018
H Acceptors
9
H Donors
5
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: C₂₁H₂₇N₅O₉S₂
Molecular Weight: 557.60
Synonyms: None
SMILES: CS(N(C1=O)CCN1C(N[C@@](C2=CC=CC=C2)([H])C(N[C@@H](C(O)=O)[C@@]3([H])SC(C)(C)[C@@](C(O)=O)([H])N3)=O)=O)(=O)=O
Tpsa: 202.52
Logp: -0.4018
H Acceptors: 9
H Donors: 5
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:
C₂₁H₂₇N₅O₉S₂
Molecular Weight:
557.60
Synonyms:
None
SMILES:
CS(N(C1=O)CCN1C(N[C@@](C2=CC=CC=C2)([H])C(N[C@@H](C(O)=O)[C@@]3([H])SC(C)(C)[C@@](C(O)=O)([H])N3)=O)=O)(=O)=O
Tpsa:
202.52
Logp:
-0.4018
H Acceptors:
9
H Donors:
5
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: C₂₀H₂₀N₆O₇S₄
Molecular Weight: 584.67
Synonyms: δ-2-Cefodizime
SMILES: OC(C1C(CSC2=NC(C)=C(CC(O)=O)S2)=CS[C@@]3([H])N1C([C@@]3([H])NC(/C(C4=CSC(N)=N4)=N\OC)=O)=O)=O
Tpsa: 197.4
Logp: 0.99712
H Acceptors: 13
H Donors: 4
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₀N₆O₇S₄
Molecular Weight:
584.67
Synonyms:
δ-2-Cefodizime
SMILES:
OC(C1C(CSC2=NC(C)=C(CC(O)=O)S2)=CS[C@@]3([H])N1C([C@@]3([H])NC(/C(C4=CSC(N)=N4)=N\OC)=O)=O)=O
Tpsa:
197.4
Logp:
0.99712
H Acceptors:
13
H Donors:
4
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₅N₃O₆S
Molecular Weight: 341.34
Synonyms: Mezlocillin impurity III
SMILES: OC([C@@](NC(N1C(N(S(C)(=O)=O)CC1)=O)=O)([H])C2=CC=CC=C2)=O
Tpsa: 124.09
Logp: 0.2191
H Acceptors: 5
H Donors: 2
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:
C₁₃H₁₅N₃O₆S
Molecular Weight:
341.34
Synonyms:
Mezlocillin impurity III
SMILES:
OC([C@@](NC(N1C(N(S(C)(=O)=O)CC1)=O)=O)([H])C2=CC=CC=C2)=O
Tpsa:
124.09
Logp:
0.2191
H Acceptors:
5
H Donors:
2
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: C₂₀H₂₀N₆O₈S₄
Molecular Weight: 600.67
Synonyms: None
SMILES: OC(C(N1[C@@]2([H])[C@@](NC(/C(C3=CSC(N)=N3)=N\OC)=O)([H])C1=O)=C(CSC4=NC(C)=C(CC(O)=O)S4)CS2=O)=O
Tpsa: 214.47
Logp: 0.01422
H Acceptors: 13
H Donors: 4
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₀N₆O₈S₄
Molecular Weight:
600.67
Synonyms:
None
SMILES:
OC(C(N1[C@@]2([H])[C@@](NC(/C(C3=CSC(N)=N3)=N\OC)=O)([H])C1=O)=C(CSC4=NC(C)=C(CC(O)=O)S4)CS2=O)=O
Tpsa:
214.47
Logp:
0.01422
H Acceptors:
13
H Donors:
4
Rotatable Bonds:
10