CS-0379726
4-(3-(Pyridin-4-yl)-1H-1,2,4-triazol-5-yl)picolinamide Topiroxostat Impurity
Manufacturer: ChemScene
CAS Number: 1992028-94-0
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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
C₁₃H₁₀N₆O
Molecular Weight
266.26
Synonyms
Topiroxostat-002
SMILES
O=C(C1=NC=CC(C2=NC(C3=CC=NC=C3)=NN2)=C1)N
Tpsa
110.44
Logp
1.0276
H Acceptors
5
H Donors
2
Rotatable Bonds
3
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-P330-P362+P364-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: C₁₃H₁₀N₆O
Molecular Weight: 266.26
Synonyms: Topiroxostat-002
SMILES: O=C(C1=NC=CC(C2=NC(C3=CC=NC=C3)=NN2)=C1)N
Tpsa: 110.44
Logp: 1.0276
H Acceptors: 5
H Donors: 2
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:
C₁₃H₁₀N₆O
Molecular Weight:
266.26
Synonyms:
Topiroxostat-002
SMILES:
O=C(C1=NC=CC(C2=NC(C3=CC=NC=C3)=NN2)=C1)N
Tpsa:
110.44
Logp:
1.0276
H Acceptors:
5
H Donors:
2
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: C₁₅H₁₅N₅O₇S₂
Molecular Weight: 441.44
Synonyms: 3-Desethenyl-3-methyl Cefixime (Cefixime EP Impurity E)
SMILES: O=C(C(N12)=C(C)CS[C@]2([H])[C@H](NC(/C(C3=CSC(N)=N3)=N\OCC(O)=O)=O)C1=O)O
Tpsa: 184.51
Logp: -0.7109
H Acceptors: 10
H Donors: 4
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₅N₅O₇S₂
Molecular Weight:
441.44
Synonyms:
3-Desethenyl-3-methyl Cefixime (Cefixime EP Impurity E)
SMILES:
O=C(C(N12)=C(C)CS[C@]2([H])[C@H](NC(/C(C3=CSC(N)=N3)=N\OCC(O)=O)=O)C1=O)O
Tpsa:
184.51
Logp:
-0.7109
H Acceptors:
10
H Donors:
4
Rotatable Bonds:
7
Purity: 98%
MDL No: MFCD00869902
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₂₂N₅O₆P
Molecular Weight: 387.33
Synonyms: ((((2-(6-Amino-9H-purin-9-yl)ethoxy)methyl)(hydroxy)phosphoryl)oxy)methyl pivalate
SMILES: CC(C)(C(OCOP(COCCN1C=NC2=C(N=CN=C21)N)(O)=O)=O)C
Tpsa: 151.68
Logp: 1.1314
H Acceptors: 10
H Donors: 2
Rotatable Bonds: 8
Purity:
98%
MDL No:
MFCD00869902
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₂₂N₅O₆P
Molecular Weight:
387.33
Synonyms:
((((2-(6-Amino-9H-purin-9-yl)ethoxy)methyl)(hydroxy)phosphoryl)oxy)methyl pivalate
SMILES:
CC(C)(C(OCOP(COCCN1C=NC2=C(N=CN=C21)N)(O)=O)=O)C
Tpsa:
151.68
Logp:
1.1314
H Acceptors:
10
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: C₁₅H₂₅NO₃
Molecular Weight: 267.36
Synonyms: Salbutamol Sulfate EP Impurity O
SMILES: OCC1=CC(C(CNC(C)(C)C)O)=CC=C1OCC
Tpsa: 61.72
Logp: 1.9991
H Acceptors: 4
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:
C₁₅H₂₅NO₃
Molecular Weight:
267.36
Synonyms:
Salbutamol Sulfate EP Impurity O
SMILES:
OCC1=CC(C(CNC(C)(C)C)O)=CC=C1OCC
Tpsa:
61.72
Logp:
1.9991
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
6