CS-0914110
(1R,3r,5S,8R)-8-butyl-3-(((S)-3-hydroxy-2-phenylpropanoyl)oxy)-8- methyl-8-azabicyclo[3.2.1]octan-8-ium chloride
Manufacturer: ChemScene
CAS Number: 99571-66-1
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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
C₂₁H₃₂NO₃+
Molecular Weight
346.48
Synonyms
None
SMILES
C(CCC)[N+]1(C)[C@@]2(C[C@@H](OC([C@H](CO)C3=CC=CC=C3)=O)C[C@]1(CC2)[H])[H]
Tpsa
46.53
Logp
3.2458
H Acceptors
3
H Donors
1
Rotatable Bonds
7
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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: C₂₁H₃₂NO₃+
Molecular Weight: 346.48
Synonyms: None
SMILES: C(CCC)[N+]1(C)[C@@]2(C[C@@H](OC([C@H](CO)C3=CC=CC=C3)=O)C[C@]1(CC2)[H])[H]
Tpsa: 46.53
Logp: 3.2458
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:
C₂₁H₃₂NO₃+
Molecular Weight:
346.48
Synonyms:
None
SMILES:
C(CCC)[N+]1(C)[C@@]2(C[C@@H](OC([C@H](CO)C3=CC=CC=C3)=O)C[C@]1(CC2)[H])[H]
Tpsa:
46.53
Logp:
3.2458
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
7
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₃H₂₇ClO₈
Molecular Weight: 466.91
Synonyms: None
SMILES: O[C@@]1(C2=CC(CC3=CC=C(O[C@H]4CCOC4)C=C3)=C(Cl)C=C2)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Tpsa: 128.84
Logp: 0.7174
H Acceptors: 8
H Donors: 5
Rotatable Bonds: 6
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₂₇ClO₈
Molecular Weight:
466.91
Synonyms:
None
SMILES:
O[C@@]1(C2=CC(CC3=CC=C(O[C@H]4CCOC4)C=C3)=C(Cl)C=C2)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Tpsa:
128.84
Logp:
0.7174
H Acceptors:
8
H Donors:
5
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: C₂₃H₂₇ClO₇
Molecular Weight: 450.91
Synonyms: None
SMILES: O[C@H]1[C@H](C2=CC(CC3=CC(O[C@H]4CCOC4)=CC=C3)=C(Cl)C=C2)O[C@H](CO)[C@@H](O)[C@@H]1O
Tpsa: 108.61
Logp: 1.6134
H Acceptors: 7
H Donors: 4
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:
C₂₃H₂₇ClO₇
Molecular Weight:
450.91
Synonyms:
None
SMILES:
O[C@H]1[C@H](C2=CC(CC3=CC(O[C@H]4CCOC4)=CC=C3)=C(Cl)C=C2)O[C@H](CO)[C@@H](O)[C@@H]1O
Tpsa:
108.61
Logp:
1.6134
H Acceptors:
7
H Donors:
4
Rotatable Bonds:
6
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₃H₂₈O₇
Molecular Weight: 416.46
Synonyms: None
SMILES: O[C@H]1[C@H](C2=CC(CC3=CC=C(O[C@H]4CCOC4)C=C3)=CC=C2)O[C@H](CO)[C@@H](O)[C@@H]1O
Tpsa: 108.61
Logp: 0.96
H Acceptors: 7
H Donors: 4
Rotatable Bonds: 6
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₂₈O₇
Molecular Weight:
416.46
Synonyms:
None
SMILES:
O[C@H]1[C@H](C2=CC(CC3=CC=C(O[C@H]4CCOC4)C=C3)=CC=C2)O[C@H](CO)[C@@H](O)[C@@H]1O
Tpsa:
108.61
Logp:
0.96
H Acceptors:
7
H Donors:
4
Rotatable Bonds:
6