CS-0532992
(2S,3aR,5S,6S,6aS)-6-Hydroxy-4,4-dimethylhexahydro-2H-2,5-methanofuro[3,2-b]pyrrol-4-ium bromide Tiotropium Bromide Impurity
Manufacturer: ChemScene
CAS Number: 1044148-31-3
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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
C₉H₁₆BrNO₂
Molecular Weight
250.13
Synonyms
None
SMILES
O[C@@H]1[C@]2([H])[C@]3([H])[N+](C)([C@H]1C[C@@H](C3)O2)C.[Br-]
Tpsa
29.46
Logp
-3.2603
H Acceptors
2
H Donors
1
Rotatable Bonds
0
SAFETY INFORMATION
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: C₉H₁₆BrNO₂
Molecular Weight: 250.13
Synonyms: None
SMILES: O[C@@H]1[C@]2([H])[C@]3([H])[N+](C)([C@H]1C[C@@H](C3)O2)C.[Br-]
Tpsa: 29.46
Logp: -3.2603
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₆BrNO₂
Molecular Weight:
250.13
Synonyms:
None
SMILES:
O[C@@H]1[C@]2([H])[C@]3([H])[N+](C)([C@H]1C[C@@H](C3)O2)C.[Br-]
Tpsa:
29.46
Logp:
-3.2603
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₂₂BrNO₄S₂
Molecular Weight: 472.42
Synonyms: Tiotropium EP Impurity I
SMILES: C[N+]1(C)[C@H](C2)[C@](O3)([H])[C@]3([H])[C@@H]1C[C@H]2OC(C(C4=CC=CS4)(C5=CC=CS5)O)=O.[Br-]
Tpsa: 59.06
Logp: -0.6503
H Acceptors: 6
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:
C₁₉H₂₂BrNO₄S₂
Molecular Weight:
472.42
Synonyms:
Tiotropium EP Impurity I
SMILES:
C[N+]1(C)[C@H](C2)[C@](O3)([H])[C@]3([H])[C@@H]1C[C@H]2OC(C(C4=CC=CS4)(C5=CC=CS5)O)=O.[Br-]
Tpsa:
59.06
Logp:
-0.6503
H Acceptors:
6
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: C₇H₆FNO₃
Molecular Weight: 171.13
Synonyms: 6-Fluoro-4-methoxy-nicotinic acid
SMILES: O=C(C1=CN=C(C=C1OC)F)O
Tpsa: 59.42
Logp: 0.9275
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₆FNO₃
Molecular Weight:
171.13
Synonyms:
6-Fluoro-4-methoxy-nicotinic acid
SMILES:
O=C(C1=CN=C(C=C1OC)F)O
Tpsa:
59.42
Logp:
0.9275
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₇NO₃
Molecular Weight: 141.12
Synonyms: 3-Furancarboxylic acid, 4-amino-, methyl ester
SMILES: O=C(C1=COC=C1N)OC
Tpsa: 65.46
Logp: 0.6484
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₇NO₃
Molecular Weight:
141.12
Synonyms:
3-Furancarboxylic acid, 4-amino-, methyl ester
SMILES:
O=C(C1=COC=C1N)OC
Tpsa:
65.46
Logp:
0.6484
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
1