CS-0567008
(1S,2S,5S)-6-(Benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide Avibactam Impurity
Manufacturer: ChemScene
CAS Number: 2064219-16-3
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Purity
98%
MDL No
None
Storage
4°C, sealed storage, away from moisture
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₄H₁₇N₃O₃
Molecular Weight
275.30
Synonyms
None
SMILES
NC([C@H]1[N@]2C(N([C@@H](CC1)C2)OCC3=CC=CC=C3)=O)=O
Tpsa
75.87
Logp
0.8721
H Acceptors
3
H Donors
1
Rotatable Bonds
4
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: 4°C, sealed storage, away from moisture
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₇N₃O₃
Molecular Weight: 275.30
Synonyms: None
SMILES: NC([C@H]1[N@]2C(N([C@@H](CC1)C2)OCC3=CC=CC=C3)=O)=O
Tpsa: 75.87
Logp: 0.8721
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
4°C, sealed storage, away from moisture
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₇N₃O₃
Molecular Weight:
275.30
Synonyms:
None
SMILES:
NC([C@H]1[N@]2C(N([C@@H](CC1)C2)OCC3=CC=CC=C3)=O)=O
Tpsa:
75.87
Logp:
0.8721
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: 4°C, sealed storage, away from moisture
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₇N₃O₃
Molecular Weight: 275.30
Synonyms: Avibactam Impurity 29
SMILES: NC([C@@H]1[N@@]2C(N([C@H](CC1)C2)OCC3=CC=CC=C3)=O)=O
Tpsa: 75.87
Logp: 0.8721
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
4°C, sealed storage, away from moisture
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₇N₃O₃
Molecular Weight:
275.30
Synonyms:
Avibactam Impurity 29
SMILES:
NC([C@@H]1[N@@]2C(N([C@H](CC1)C2)OCC3=CC=CC=C3)=O)=O
Tpsa:
75.87
Logp:
0.8721
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₀H₃₁ClN₆O₄
Molecular Weight: 575.06
Synonyms: Neratinib Impurity XA
SMILES: CCOC(C(NC(/C=C/CN(C)C)=O)=C1)=CC2=C1C(NC3=CC(Cl)=C(C=C3)OCC4=CC=CC=N4)=C(C(N)=O)C=N2
Tpsa: 131.7
Logp: 5.1597
H Acceptors: 8
H Donors: 3
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₀H₃₁ClN₆O₄
Molecular Weight:
575.06
Synonyms:
Neratinib Impurity XA
SMILES:
CCOC(C(NC(/C=C/CN(C)C)=O)=C1)=CC2=C1C(NC3=CC(Cl)=C(C=C3)OCC4=CC=CC=N4)=C(C(N)=O)C=N2
Tpsa:
131.7
Logp:
5.1597
H Acceptors:
8
H Donors:
3
Rotatable Bonds:
12
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₈H₄₄N₄OS₂
Molecular Weight: 636.91
Synonyms: Vortioxetine Impurity 52
SMILES: O=C(CN1CCN(CC1)C2=C(SC3=CC=C(C)C=C3C)C=CC=C2)N4CCN(CC4)C5=C(SC6=CC=C(C)C=C6C)C=CC=C5
Tpsa: 30.03
Logp: 7.69348
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₈H₄₄N₄OS₂
Molecular Weight:
636.91
Synonyms:
Vortioxetine Impurity 52
SMILES:
O=C(CN1CCN(CC1)C2=C(SC3=CC=C(C)C=C3C)C=CC=C2)N4CCN(CC4)C5=C(SC6=CC=C(C)C=C6C)C=CC=C5
Tpsa:
30.03
Logp:
7.69348
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
8