CS-0569441
4-(Hydroxydiphenylmethyl)-1-(2-hydroxyethyl)quinuclidin-1-ium bromide
Manufacturer: ChemScene
CAS Number: 869112-31-2
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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
C₂₂H₂₈BrNO₂
Molecular Weight
418.37
Synonyms
Umeclidinium Impurity 4
SMILES
[Br-].OCC[N+]12CCC(CC1)(CC2)C(O)(C=3C=CC=CC3)C=4C=CC=CC4
Tpsa
40.46
Logp
-0.0805
H Acceptors
2
H Donors
2
Rotatable Bonds
5
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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: C₂₂H₂₈BrNO₂
Molecular Weight: 418.37
Synonyms: Umeclidinium Impurity 4
SMILES: [Br-].OCC[N+]12CCC(CC1)(CC2)C(O)(C=3C=CC=CC3)C=4C=CC=CC4
Tpsa: 40.46
Logp: -0.0805
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₈BrNO₂
Molecular Weight:
418.37
Synonyms:
Umeclidinium Impurity 4
SMILES:
[Br-].OCC[N+]12CCC(CC1)(CC2)C(O)(C=3C=CC=CC3)C=4C=CC=CC4
Tpsa:
40.46
Logp:
-0.0805
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₇H₃₀BrNO
Molecular Weight: 464.44
Synonyms: Umeclidinium Bromide Impurity 8
SMILES: [Br-].OC(C=1C=CC=CC1)(C=2C=CC=CC2)C34CC[N+](CC=5C=CC=CC5)(CC3)CC4
Tpsa: 20.23
Logp: 2.1274
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₇H₃₀BrNO
Molecular Weight:
464.44
Synonyms:
Umeclidinium Bromide Impurity 8
SMILES:
[Br-].OC(C=1C=CC=CC1)(C=2C=CC=CC2)C34CC[N+](CC=5C=CC=CC5)(CC3)CC4
Tpsa:
20.23
Logp:
2.1274
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₇NO₃
Molecular Weight: 153.14
Synonyms: 1,4-dihydro-2-methyl-4-oxo-nicotinic acid
SMILES: CC1=C(C(=O)C=CN1)C(=O)O
Tpsa: 70.16
Logp: 0.38152
H Acceptors: 2
H Donors: 2
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:
C₇H₇NO₃
Molecular Weight:
153.14
Synonyms:
1,4-dihydro-2-methyl-4-oxo-nicotinic acid
SMILES:
CC1=C(C(=O)C=CN1)C(=O)O
Tpsa:
70.16
Logp:
0.38152
H Acceptors:
2
H Donors:
2
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: C₁₀H₈F₃NO
Molecular Weight: 215.17
Synonyms: 7-(Trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-one
SMILES: C1CC(=O)NC2=C1C=CC(=C2)C(F)(F)F
Tpsa: 29.1
Logp: 2.5901
H Acceptors: 1
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:
C₁₀H₈F₃NO
Molecular Weight:
215.17
Synonyms:
7-(Trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-one
SMILES:
C1CC(=O)NC2=C1C=CC(=C2)C(F)(F)F
Tpsa:
29.1
Logp:
2.5901
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
0