CS-1002051
Ketorolac Impurity 59
Manufacturer: ChemScene
CAS Number: 175459-90-2
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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
C₁₆H₁₃NO₅
Molecular Weight
299.28
Synonyms
None
SMILES
O=C(O)C1(C(=O)O)C2=CC=C(C(=O)C=3C=CC=CC3)N2CC1
Tpsa
96.6
Logp
1.5298
H Acceptors
4
H Donors
2
Rotatable Bonds
4
Related Products
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: C₁₆H₁₃NO₅
Molecular Weight: 299.28
Synonyms: None
SMILES: O=C(O)C1(C(=O)O)C2=CC=C(C(=O)C=3C=CC=CC3)N2CC1
Tpsa: 96.6
Logp: 1.5298
H Acceptors: 4
H Donors: 2
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:
C₁₆H₁₃NO₅
Molecular Weight:
299.28
Synonyms:
None
SMILES:
O=C(O)C1(C(=O)O)C2=CC=C(C(=O)C=3C=CC=CC3)N2CC1
Tpsa:
96.6
Logp:
1.5298
H Acceptors:
4
H Donors:
2
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: C₉H₁₀Br₂O₂
Molecular Weight: 309.98
Synonyms: None
SMILES: BrC1=CC=C(OC)C(OC)=C1CBr
Tpsa: 18.46
Logp: 3.3612
H Acceptors: 2
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:
C₉H₁₀Br₂O₂
Molecular Weight:
309.98
Synonyms:
None
SMILES:
BrC1=CC=C(OC)C(OC)=C1CBr
Tpsa:
18.46
Logp:
3.3612
H Acceptors:
2
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: C₁₄H₁₅F₂N₃O₂
Molecular Weight: 295.28
Synonyms: None
SMILES: C([C@]1(C[C@H](CO)CO1)C2=C(F)C=C(F)C=C2)N3C=NC=N3
Tpsa: 60.17
Logp: 1.4806
H Acceptors: 5
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:
C₁₄H₁₅F₂N₃O₂
Molecular Weight:
295.28
Synonyms:
None
SMILES:
C([C@]1(C[C@H](CO)CO1)C2=C(F)C=C(F)C=C2)N3C=NC=N3
Tpsa:
60.17
Logp:
1.4806
H Acceptors:
5
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: C₂₇H₄₀O₃
Molecular Weight: 412.60
Synonyms: None
SMILES: C[C@@]12[C@](C(/C=C\C3=C(C)[C@@H](O)C[C@H](O)C3)=CCC1)(CC[C@@]2([C@@H](/C=C/[C@@H](O)C4CC4)C)[H])[H]
Tpsa: 60.69
Logp: 5.0906
H Acceptors: 3
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:
C₂₇H₄₀O₃
Molecular Weight:
412.60
Synonyms:
None
SMILES:
C[C@@]12[C@](C(/C=C\C3=C(C)[C@@H](O)C[C@H](O)C3)=CCC1)(CC[C@@]2([C@@H](/C=C/[C@@H](O)C4CC4)C)[H])[H]
Tpsa:
60.69
Logp:
5.0906
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
6