CS-0498117
(2S,5R,6R)-Methyl 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-carboxylate 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
C₂₂H₂₇N₅O₈S₂
Molecular Weight
553.61
Synonyms
None
SMILES
O=C(OC)[C@H]1C(C)(C)S[C@](N21)([H])[C@@](NC([C@H](NC(N3CCN(S(C)(=O)=O)C3=O)=O)C4=CC=CC=C4)=O)([H])C2=O
Tpsa
162.5
Logp
-0.1454
H Acceptors
9
H Donors
2
Rotatable Bonds
6
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: C₂₂H₂₇N₅O₈S₂
Molecular Weight: 553.61
Synonyms: None
SMILES: O=C(OC)[C@H]1C(C)(C)S[C@](N21)([H])[C@@](NC([C@H](NC(N3CCN(S(C)(=O)=O)C3=O)=O)C4=CC=CC=C4)=O)([H])C2=O
Tpsa: 162.5
Logp: -0.1454
H Acceptors: 9
H Donors: 2
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₇N₅O₈S₂
Molecular Weight:
553.61
Synonyms:
None
SMILES:
O=C(OC)[C@H]1C(C)(C)S[C@](N21)([H])[C@@](NC([C@H](NC(N3CCN(S(C)(=O)=O)C3=O)=O)C4=CC=CC=C4)=O)([H])C2=O
Tpsa:
162.5
Logp:
-0.1454
H Acceptors:
9
H Donors:
2
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₂₅N₅O₈S₂
Molecular Weight: 539.58
Synonyms: None
SMILES: O=C(O)[C@H]1C(C)(C)S[C@](N21)([H])[C@H](NC([C@@H](NC(N3CCN(S(C)(=O)=O)C3=O)=O)C4=CC=CC=C4)=O)C2=O
Tpsa: 173.5
Logp: -0.2338
H Acceptors: 8
H Donors: 3
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₅N₅O₈S₂
Molecular Weight:
539.58
Synonyms:
None
SMILES:
O=C(O)[C@H]1C(C)(C)S[C@](N21)([H])[C@H](NC([C@@H](NC(N3CCN(S(C)(=O)=O)C3=O)=O)C4=CC=CC=C4)=O)C2=O
Tpsa:
173.5
Logp:
-0.2338
H Acceptors:
8
H Donors:
3
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₇H₄₄N₈O₁₂S₃
Molecular Weight: 888.99
Synonyms: None
SMILES: O=C(O)[C@H]1C(C)(C)S[C@]([H])(C(C(N[C@H](C2=CC=CC=C2)C(N[C@]([C@]3([H])N4[C@@H](C(O)=O)C(C)(C)S3)([H])C4=O)=O)=O)NC([C@H](NC(N5CCN(S(C)(=O)=O)C5=O)=O)C6=CC=CC=C6)=O)N1
Tpsa: 281.03
Logp: 0.0028
H Acceptors: 13
H Donors: 7
Rotatable Bonds: 13
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₇H₄₄N₈O₁₂S₃
Molecular Weight:
888.99
Synonyms:
None
SMILES:
O=C(O)[C@H]1C(C)(C)S[C@]([H])(C(C(N[C@H](C2=CC=CC=C2)C(N[C@]([C@]3([H])N4[C@@H](C(O)=O)C(C)(C)S3)([H])C4=O)=O)=O)NC([C@H](NC(N5CCN(S(C)(=O)=O)C5=O)=O)C6=CC=CC=C6)=O)N1
Tpsa:
281.03
Logp:
0.0028
H Acceptors:
13
H Donors:
7
Rotatable Bonds:
13
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₂₃N₅O₇S
Molecular Weight: 477.49
Synonyms: None
SMILES: O=C(O)[C@@]1([H])C(C)(C)S([C@](N21)([H])[C@@](NC(C(NC(N3C(NCC3)=O)=O)([H])C4=CC=CC=C4)=O)([H])C2=O)=O
Tpsa: 165.22
Logp: -0.8903
H Acceptors: 6
H Donors: 4
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₃N₅O₇S
Molecular Weight:
477.49
Synonyms:
None
SMILES:
O=C(O)[C@@]1([H])C(C)(C)S([C@](N21)([H])[C@@](NC(C(NC(N3C(NCC3)=O)=O)([H])C4=CC=CC=C4)=O)([H])C2=O)=O
Tpsa:
165.22
Logp:
-0.8903
H Acceptors:
6
H Donors:
4
Rotatable Bonds:
5