CS-1005100
Ertapenem Impurity 22
Manufacturer: ChemScene
CAS Number: 866317-77-3
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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
C₂₉H₃₂N₄O₇S
Molecular Weight
580.65
Synonyms
None
SMILES
C(O)(=O)C=1N2[C@@]([C@@]([C@@H](C)O)(C2=O)[H])([C@@H](C)C1S[C@@H]3CN(CC4=CC=C(N)C=C4)[C@H](C(NC5=CC(C(O)=O)=CC=C5)=O)C3)[H]
Tpsa
173.5
Logp
2.4355
H Acceptors
8
H Donors
5
Rotatable Bonds
9
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: C₂₉H₃₂N₄O₇S
Molecular Weight: 580.65
Synonyms: None
SMILES: C(O)(=O)C=1N2[C@@]([C@@]([C@@H](C)O)(C2=O)[H])([C@@H](C)C1S[C@@H]3CN(CC4=CC=C(N)C=C4)[C@H](C(NC5=CC(C(O)=O)=CC=C5)=O)C3)[H]
Tpsa: 173.5
Logp: 2.4355
H Acceptors: 8
H Donors: 5
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₃₂N₄O₇S
Molecular Weight:
580.65
Synonyms:
None
SMILES:
C(O)(=O)C=1N2[C@@]([C@@]([C@@H](C)O)(C2=O)[H])([C@@H](C)C1S[C@@H]3CN(CC4=CC=C(N)C=C4)[C@H](C(NC5=CC(C(O)=O)=CC=C5)=O)C3)[H]
Tpsa:
173.5
Logp:
2.4355
H Acceptors:
8
H Donors:
5
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₁₆F₂O₇
Molecular Weight: 394.32
Synonyms: None
SMILES: [C@@H](OC(=O)C1=CC=CC=C1)([C@@H](COC(=O)C2=CC=CC=C2)O)[C@](C(O)=O)(F)F
Tpsa: 110.13
Logp: 2.1498
H Acceptors: 6
H Donors: 2
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:
C₁₉H₁₆F₂O₇
Molecular Weight:
394.32
Synonyms:
None
SMILES:
[C@@H](OC(=O)C1=CC=CC=C1)([C@@H](COC(=O)C2=CC=CC=C2)O)[C@](C(O)=O)(F)F
Tpsa:
110.13
Logp:
2.1498
H Acceptors:
6
H Donors:
2
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: C₁₈H₂₀FNO₃S
Molecular Weight: 349.42
Synonyms: None
SMILES: [C@H](C(=O)C1CC1)(N2C\C(=C\C(O)=O)\[C@@H](S)CC2)C3=C(F)C=CC=C3
Tpsa: 57.61
Logp: 2.861
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:
C₁₈H₂₀FNO₃S
Molecular Weight:
349.42
Synonyms:
None
SMILES:
[C@H](C(=O)C1CC1)(N2C\C(=C\C(O)=O)\[C@@H](S)CC2)C3=C(F)C=CC=C3
Tpsa:
57.61
Logp:
2.861
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: C₁₈H₂₀FNO₃S
Molecular Weight: 349.42
Synonyms: None
SMILES: [C@@H](C(=O)C1CC1)(N2C\C(=C\C(O)=O)\[C@@H](S)CC2)C3=C(F)C=CC=C3
Tpsa: 57.61
Logp: 2.861
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:
C₁₈H₂₀FNO₃S
Molecular Weight:
349.42
Synonyms:
None
SMILES:
[C@@H](C(=O)C1CC1)(N2C\C(=C\C(O)=O)\[C@@H](S)CC2)C3=C(F)C=CC=C3
Tpsa:
57.61
Logp:
2.861
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
5