CS-0567629
((4S,4'R)-2,2'-((1S,7R,13R)-1-Amino-14-(((2S,5R,6R)-2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)amino)-2,5,8,11,14-pentaoxo-1,7,13-triphenyl-3,6,9,12-tetraazatetradecane-4,10-diyl)bis(5,5-dimethylthiazolidine-4,2-diyl))diformic acid Ampicillin 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
C₄₈H₅₇N₉O₁₂S₃
Molecular Weight
1048.21
Synonyms
None
SMILES
[H][C@]1(NC(SC1(C)C)C(C(N[C@@](C(NC(C2N[C@](C(O)=O)(C(C)(S2)C)[H])C(N[C@@](C(N[C@@]3(C(N4[C@@](C(O)=O)(C(C)(S[C@@]43[H])C)[H])=O)[H])=O)(C5=CC=CC=C5)[H])=O)=O)(C6=CC=CC=C6)[H])=O)NC([C@@](N)(C7=CC=CC=C7)[H])=O)C(O)=O
Tpsa
327.79
Logp
0.7913
H Acceptors
15
H Donors
11
Rotatable Bonds
18
Other Options
...
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: C₄₈H₅₇N₉O₁₂S₃
Molecular Weight: 1048.21
Synonyms: None
SMILES: [H][C@]1(NC(SC1(C)C)C(C(N[C@@](C(NC(C2N[C@](C(O)=O)(C(C)(S2)C)[H])C(N[C@@](C(N[C@@]3(C(N4[C@@](C(O)=O)(C(C)(S[C@@]43[H])C)[H])=O)[H])=O)(C5=CC=CC=C5)[H])=O)=O)(C6=CC=CC=C6)[H])=O)NC([C@@](N)(C7=CC=CC=C7)[H])=O)C(O)=O
Tpsa: 327.79
Logp: 0.7913
H Acceptors: 15
H Donors: 11
Rotatable Bonds: 18
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₈H₅₇N₉O₁₂S₃
Molecular Weight:
1048.21
Synonyms:
None
SMILES:
[H][C@]1(NC(SC1(C)C)C(C(N[C@@](C(NC(C2N[C@](C(O)=O)(C(C)(S2)C)[H])C(N[C@@](C(N[C@@]3(C(N4[C@@](C(O)=O)(C(C)(S[C@@]43[H])C)[H])=O)[H])=O)(C5=CC=CC=C5)[H])=O)=O)(C6=CC=CC=C6)[H])=O)NC([C@@](N)(C7=CC=CC=C7)[H])=O)C(O)=O
Tpsa:
327.79
Logp:
0.7913
H Acceptors:
15
H Donors:
11
Rotatable Bonds:
18
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₆H₅₅N₉O₁₃S₃
Molecular Weight: 1038.18
Synonyms: None
SMILES: [H]C(C(NC(C1N[C@](C(O)=O)(C(S1)C)[H])C(O)=O)=O)(C2=CC=CC=C2)NC(C(C(N3)SC(C)(C)[C@@]3(C(O)=O)[H])NC([C@@]([H])(C4=CC=CC=C4)NC(C(C5N[C@@](C(O)=O)(C(S5)C)[H])NC([C@](N)(C6=CC=CC=C6)[H])=O)=O)=O)=O
Tpsa: 356.81
Logp: -0.1569
H Acceptors: 16
H Donors: 13
Rotatable Bonds: 20
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₆H₅₅N₉O₁₃S₃
Molecular Weight:
1038.18
Synonyms:
None
SMILES:
[H]C(C(NC(C1N[C@](C(O)=O)(C(S1)C)[H])C(O)=O)=O)(C2=CC=CC=C2)NC(C(C(N3)SC(C)(C)[C@@]3(C(O)=O)[H])NC([C@@]([H])(C4=CC=CC=C4)NC(C(C5N[C@@](C(O)=O)(C(S5)C)[H])NC([C@](N)(C6=CC=CC=C6)[H])=O)=O)=O)=O
Tpsa:
356.81
Logp:
-0.1569
H Acceptors:
16
H Donors:
13
Rotatable Bonds:
20
Purity: 95%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₇NO₂
Molecular Weight: 219.28
Synonyms: None
SMILES: O=C(C1CCC1)NCC2=CC=C(OC)C=C2
Tpsa: 38.33
Logp: 2.1115
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 4
Purity:
95%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₇NO₂
Molecular Weight:
219.28
Synonyms:
None
SMILES:
O=C(C1CCC1)NCC2=CC=C(OC)C=C2
Tpsa:
38.33
Logp:
2.1115
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₀O₃
Molecular Weight: 142.15
Synonyms: 3-Hydroxy-1-cyclohexene-1-carboxylic acid
SMILES: O=C(C1=CC(O)CCC1)O
Tpsa: 57.53
Logp: 0.5422
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₀O₃
Molecular Weight:
142.15
Synonyms:
3-Hydroxy-1-cyclohexene-1-carboxylic acid
SMILES:
O=C(C1=CC(O)CCC1)O
Tpsa:
57.53
Logp:
0.5422
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
1