CS-0531457
(2R,2'R,4S,4'S)-2,2'-((1R,4R,7R,10R,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-carboxylic acid) Ampicillin Impurity
Manufacturer: ChemScene
CAS Number: 114977-84-3
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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
Ampicillin Trimer Trisodium Salt
SMILES
N[C@H](C1=CC=CC=C1)C(N[C@@H]([C@]2([H])N[C@H](C(C)(S2)C)C(O)=O)C(N[C@H](C3=CC=CC=C3)C(N[C@@H]([C@]4([H])N[C@H](C(C)(S4)C)C(O)=O)C(N[C@H](C5=CC=CC=C5)C(N[C@H]6[C@]7([H])N([C@H](C(C)(S7)C)C(O)=O)C6=O)=O)=O)=O)=O)=O
Tpsa
327.79
Logp
0.7913
H Acceptors
15
H Donors
11
Rotatable Bonds
18
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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: C₄₈H₅₇N₉O₁₂S₃
Molecular Weight: 1048.21
Synonyms: Ampicillin Trimer Trisodium Salt
SMILES: N[C@H](C1=CC=CC=C1)C(N[C@@H]([C@]2([H])N[C@H](C(C)(S2)C)C(O)=O)C(N[C@H](C3=CC=CC=C3)C(N[C@@H]([C@]4([H])N[C@H](C(C)(S4)C)C(O)=O)C(N[C@H](C5=CC=CC=C5)C(N[C@H]6[C@]7([H])N([C@H](C(C)(S7)C)C(O)=O)C6=O)=O)=O)=O)=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:
Ampicillin Trimer Trisodium Salt
SMILES:
N[C@H](C1=CC=CC=C1)C(N[C@@H]([C@]2([H])N[C@H](C(C)(S2)C)C(O)=O)C(N[C@H](C3=CC=CC=C3)C(N[C@@H]([C@]4([H])N[C@H](C(C)(S4)C)C(O)=O)C(N[C@H](C5=CC=CC=C5)C(N[C@H]6[C@]7([H])N([C@H](C(C)(S7)C)C(O)=O)C6=O)=O)=O)=O)=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: C₁₈H₂₉N₃O₄S
Molecular Weight: 383.51
Synonyms: N-Methyl Amisulpride
SMILES: O=C(N(CC1N(CCC1)CC)C)C2=C(OC)C=C(N)C(S(=O)(CC)=O)=C2
Tpsa: 92.94
Logp: 1.6273
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₂₉N₃O₄S
Molecular Weight:
383.51
Synonyms:
N-Methyl Amisulpride
SMILES:
O=C(N(CC1N(CCC1)CC)C)C2=C(OC)C=C(N)C(S(=O)(CC)=O)=C2
Tpsa:
92.94
Logp:
1.6273
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₂₅N₃O₄S
Molecular Weight: 355.45
Synonyms: PLC AMI4002
SMILES: O=C(C1=C(O)C=C(N)C(S(=O)(CC)=O)=C1)NCC2N(CCC2)CC
Tpsa: 112.73
Logp: 0.9821
H Acceptors: 6
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:
C₁₆H₂₅N₃O₄S
Molecular Weight:
355.45
Synonyms:
PLC AMI4002
SMILES:
O=C(C1=C(O)C=C(N)C(S(=O)(CC)=O)=C1)NCC2N(CCC2)CC
Tpsa:
112.73
Logp:
0.9821
H Acceptors:
6
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: C₁₅H₂₂IN₃O₂
Molecular Weight: 403.26
Synonyms: Amisulpride Impurity 3（Amisulpride EP Impurity C)
SMILES: O=C(C1=C(OC)C=C(N)C(I)=C1)NCC2N(CCC2)CC
Tpsa: 67.59
Logp: 2.0961
H Acceptors: 4
H Donors: 2
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:
C₁₅H₂₂IN₃O₂
Molecular Weight:
403.26
Synonyms:
Amisulpride Impurity 3（Amisulpride EP Impurity C)
SMILES:
O=C(C1=C(OC)C=C(N)C(I)=C1)NCC2N(CCC2)CC
Tpsa:
67.59
Logp:
2.0961
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
5