CS-1001380
Avibactam Impurity 59
Manufacturer: ChemScene
CAS Number: 1427462-68-7
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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
C₁₄H₁₅N₃O₂
Molecular Weight
257.29
Synonyms
None
SMILES
C(#N)[C@H]1[N@@]2C(=O)N(OCC3=CC=CC=C3)[C@@](C2)(CC1)[H]
Tpsa
56.57
Logp
1.91038
H Acceptors
3
H Donors
0
Rotatable Bonds
3
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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: C₁₄H₁₅N₃O₂
Molecular Weight: 257.29
Synonyms: None
SMILES: C(#N)[C@H]1[N@@]2C(=O)N(OCC3=CC=CC=C3)[C@@](C2)(CC1)[H]
Tpsa: 56.57
Logp: 1.91038
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₅N₃O₂
Molecular Weight:
257.29
Synonyms:
None
SMILES:
C(#N)[C@H]1[N@@]2C(=O)N(OCC3=CC=CC=C3)[C@@](C2)(CC1)[H]
Tpsa:
56.57
Logp:
1.91038
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₆Cl₂N₂O
Molecular Weight: 287.18
Synonyms: None
SMILES: O=C1N(C=2C=CC=CC2N1CCCCl)CCCCl
Tpsa: 26.93
Logp: 3.0608
H Acceptors: 3
H Donors: 0
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:
C₁₃H₁₆Cl₂N₂O
Molecular Weight:
287.18
Synonyms:
None
SMILES:
O=C1N(C=2C=CC=CC2N1CCCCl)CCCCl
Tpsa:
26.93
Logp:
3.0608
H Acceptors:
3
H Donors:
0
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: C₂₁H₂₃N₅O₂S
Molecular Weight: 409.50
Synonyms: None
SMILES: S(=O)(=O)(N1C2=C(N3C(=CN=C3C=N2)[C@@H]4[C@H](CC)CNC4)C=C1)C5=CC=C(C)C=C5
Tpsa: 81.29
Logp: 2.94242
H Acceptors: 7
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:
C₂₁H₂₃N₅O₂S
Molecular Weight:
409.50
Synonyms:
None
SMILES:
S(=O)(=O)(N1C2=C(N3C(=CN=C3C=N2)[C@@H]4[C@H](CC)CNC4)C=C1)C5=CC=C(C)C=C5
Tpsa:
81.29
Logp:
2.94242
H Acceptors:
7
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: C₃₀H₃₄N₁₀O₇P₂
Molecular Weight: 708.60
Synonyms: None
SMILES: C([C@H](OCP(OP(OC1=CC=CC=C1)(CO[C@@H](CN2C=3C(N=C2)=C(N)N=CN3)C)=O)(OC4=CC=CC=C4)=O)C)N5C=6C(N=C5)=C(N)N=CN6
Tpsa: 219.53
Logp: 5.1166
H Acceptors: 17
H Donors: 2
Rotatable Bonds: 16
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₀H₃₄N₁₀O₇P₂
Molecular Weight:
708.60
Synonyms:
None
SMILES:
C([C@H](OCP(OP(OC1=CC=CC=C1)(CO[C@@H](CN2C=3C(N=C2)=C(N)N=CN3)C)=O)(OC4=CC=CC=C4)=O)C)N5C=6C(N=C5)=C(N)N=CN6
Tpsa:
219.53
Logp:
5.1166
H Acceptors:
17
H Donors:
2
Rotatable Bonds:
16