CS-0567631
((4S,4'R)-2,2'-((10R,16R)-16-Amino-1-carboxy-7-((4S)-4-carboxy-5,5-dimethylthiazolidin-2-yl)-3,6,9,12,15-pentaoxo-4,10,16-triphenyl-2,5,8,11,14-pentaazahexadecane-1,13-diyl)bis(5-methylthiazolidine-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
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
Other Options
...
SAFETY INFORMATION
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: 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
Purity: 98%
MDL No: MFCD01074057
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃H₂D₆O₂
Molecular Weight: 82.13
Synonyms: None
SMILES: OC([2H])([2H])C([2H])([2H])C([2H])([2H])O
Tpsa: 40.46
Logp: -0.6389
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD01074057
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃H₂D₆O₂
Molecular Weight:
82.13
Synonyms:
None
SMILES:
OC([2H])([2H])C([2H])([2H])C([2H])([2H])O
Tpsa:
40.46
Logp:
-0.6389
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
2