CS-0612131
3-(Butylamino)-5-(N-((3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)sulfamoyl)-4-phenoxybenzoic acid Bumetanide Impurity
Manufacturer: ChemScene
CAS Number: None
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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
C₂₉H₄₀N₂O₁₅S
Molecular Weight
688.70
Synonyms
None
SMILES
OC(C1=CC(NCCCC)=C(C(S(=O)(NC2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O[C@@H]3O[C@@H]([C@@H]([C@@H]([C@H]3O)O)O)CO)CO)=O)=C1)OC4=CC=CC=C4)=O
Tpsa
274.03
Logp
-1.7085
H Acceptors
15
H Donors
10
Rotatable Bonds
14
Other Options
...
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: C₂₉H₄₀N₂O₁₅S
Molecular Weight: 688.70
Synonyms: None
SMILES: OC(C1=CC(NCCCC)=C(C(S(=O)(NC2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O[C@@H]3O[C@@H]([C@@H]([C@@H]([C@H]3O)O)O)CO)CO)=O)=C1)OC4=CC=CC=C4)=O
Tpsa: 274.03
Logp: -1.7085
H Acceptors: 15
H Donors: 10
Rotatable Bonds: 14
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₄₀N₂O₁₅S
Molecular Weight:
688.70
Synonyms:
None
SMILES:
OC(C1=CC(NCCCC)=C(C(S(=O)(NC2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O[C@@H]3O[C@@H]([C@@H]([C@@H]([C@H]3O)O)O)CO)CO)=O)=C1)OC4=CC=CC=C4)=O
Tpsa:
274.03
Logp:
-1.7085
H Acceptors:
15
H Donors:
10
Rotatable Bonds:
14
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₂₄N₂O
Molecular Weight: 296.41
Synonyms: None
SMILES: OC1=CC=C2C(CCC3=C(N2CCCN(C)C)C=CC=C3)=C1
Tpsa: 26.71
Logp: 3.5806
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:
C₁₉H₂₄N₂O
Molecular Weight:
296.41
Synonyms:
None
SMILES:
OC1=CC=C2C(CCC3=C(N2CCCN(C)C)C=CC=C3)=C1
Tpsa:
26.71
Logp:
3.5806
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
4
Purity: 95%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₉BrN₂
Molecular Weight: 237.10
Synonyms: 1-(3-bromophenyl)-3-methylpyrazole
SMILES: CC1=NN(C2=CC=CC(Br)=C2)C=C1
Tpsa: 17.82
Logp: 2.94322
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 1
Purity:
95%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₉BrN₂
Molecular Weight:
237.10
Synonyms:
1-(3-bromophenyl)-3-methylpyrazole
SMILES:
CC1=NN(C2=CC=CC(Br)=C2)C=C1
Tpsa:
17.82
Logp:
2.94322
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: 4°C, protect from light, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₅N
Molecular Weight: 161.24
Synonyms: None
SMILES: CC1=C(C)C=C(C(N)C=C)C=C1
Tpsa: 26.02
Logp: 2.48924
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₅N
Molecular Weight:
161.24
Synonyms:
None
SMILES:
CC1=C(C)C=C(C(N)C=C)C=C1
Tpsa:
26.02
Logp:
2.48924
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
2