CS-0914469
1-(2-(benzoyloxy)ethyl)-4-(hydroxydiphenylmethyl)quinuclidin-1-ium bromide
Manufacturer: ChemScene
CAS Number: 869113-45-1
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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
C₂₉H₃₂BrNO₃
Molecular Weight
522.47
Synonyms
None
SMILES
[Br-].O=C(OCC[N+]12CCC(CC1)(CC2)C(O)(C=3C=CC=CC3)C=4C=CC=CC4)C=5C=CC=CC5
Tpsa
46.53
Logp
1.7842
H Acceptors
3
H Donors
1
Rotatable Bonds
7
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | Umeclidinium Impurity 3 | Aaron Chemicals LLC | -- | |
| | 869113-45-1 | Umeclidinium Impurity 3 | A2B Chem | -- |
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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: C₂₉H₃₂BrNO₃
Molecular Weight: 522.47
Synonyms: None
SMILES: [Br-].O=C(OCC[N+]12CCC(CC1)(CC2)C(O)(C=3C=CC=CC3)C=4C=CC=CC4)C=5C=CC=CC5
Tpsa: 46.53
Logp: 1.7842
H Acceptors: 3
H Donors: 1
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:
C₂₉H₃₂BrNO₃
Molecular Weight:
522.47
Synonyms:
None
SMILES:
[Br-].O=C(OCC[N+]12CCC(CC1)(CC2)C(O)(C=3C=CC=CC3)C=4C=CC=CC4)C=5C=CC=CC5
Tpsa:
46.53
Logp:
1.7842
H Acceptors:
3
H Donors:
1
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: C₁₇H₂₄N₂O₃
Molecular Weight: 304.38
Synonyms: None
SMILES: O=C1N(C23CC4(O)CC(C2)CC(C3)C4)CC(=O)N5[C@]1(CCC5)[H]
Tpsa: 60.85
Logp: 0.9033
H Acceptors: 3
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:
C₁₇H₂₄N₂O₃
Molecular Weight:
304.38
Synonyms:
None
SMILES:
O=C1N(C23CC4(O)CC(C2)CC(C3)C4)CC(=O)N5[C@]1(CCC5)[H]
Tpsa:
60.85
Logp:
0.9033
H Acceptors:
3
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: C₁₇H₂₅N₃O₂
Molecular Weight: 303.40
Synonyms: None
SMILES: N=C1N(C23CC4(O)CC(C2)CC(C3)C4)CC(=O)N5[C@]1(CCC5)[H]
Tpsa: 67.63
Logp: 1.35397
H Acceptors: 3
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:
C₁₇H₂₅N₃O₂
Molecular Weight:
303.40
Synonyms:
None
SMILES:
N=C1N(C23CC4(O)CC(C2)CC(C3)C4)CC(=O)N5[C@]1(CCC5)[H]
Tpsa:
67.63
Logp:
1.35397
H Acceptors:
3
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: C₁₆H₂₃NO₂
Molecular Weight: 261.36
Synonyms: None
SMILES: O(C1=CC=C(C=C1)C2CNCOC32CCCCC3)C
Tpsa: 30.49
Logp: 3.059
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:
C₁₆H₂₃NO₂
Molecular Weight:
261.36
Synonyms:
None
SMILES:
O(C1=CC=C(C=C1)C2CNCOC32CCCCC3)C
Tpsa:
30.49
Logp:
3.059
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2