CS-0996845
1-Cyclopentyl-2-(1-cyclopentyl-1-phenyl-2-(quinuclidin-3-yloxy)ethoxy)-1-phenylethanol
Manufacturer: ChemScene
CAS Number: 2091937-84-5
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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
C₃₃H₄₅NO₃
Molecular Weight
503.72
Synonyms
None
SMILES
OC(COC(COC1CN2CCC1CC2)(C3CCCC3)C4=CC=CC=C4)(C5CCCC5)C6=CC=CC=C6
Tpsa
41.93
Logp
6.2775
H Acceptors
4
H Donors
1
Rotatable Bonds
10
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: C₃₃H₄₅NO₃
Molecular Weight: 503.72
Synonyms: None
SMILES: OC(COC(COC1CN2CCC1CC2)(C3CCCC3)C4=CC=CC=C4)(C5CCCC5)C6=CC=CC=C6
Tpsa: 41.93
Logp: 6.2775
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₃H₄₅NO₃
Molecular Weight:
503.72
Synonyms:
None
SMILES:
OC(COC(COC1CN2CCC1CC2)(C3CCCC3)C4=CC=CC=C4)(C5CCCC5)C6=CC=CC=C6
Tpsa:
41.93
Logp:
6.2775
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₉ClFNO
Molecular Weight: 319.80
Synonyms: None
SMILES: FC(C=C(Cl)C=C1)=C1COC2=C(C3CCNCC3)C=CC=C2
Tpsa: 21.26
Logp: 4.5251
H Acceptors: 2
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:
C₁₈H₁₉ClFNO
Molecular Weight:
319.80
Synonyms:
None
SMILES:
FC(C=C(Cl)C=C1)=C1COC2=C(C3CCNCC3)C=CC=C2
Tpsa:
21.26
Logp:
4.5251
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
4
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₂H₆₆ClNO₁₁
Molecular Weight: 796.43
Synonyms: Desmethyl SDZ-ASM 981
SMILES: CO[C@@H]1[C@]2([H])O[C@]([C@@H](C1)C)(C(C(N3[C@](CCCC3)([H])C(O[C@@H]([C@@H]([C@H](CC([C@@H](/C=C(C[C@@H](C[C@@H]2OC)C)\C)C)=O)O)C)/C(C)=C/[C@H]4C[C@H]([C@H](CC4)Cl)OC)=O)=O)=O)O
Tpsa: 158.13
Logp: 5.3293
H Acceptors: 11
H Donors: 2
Rotatable Bonds: 5
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₂H₆₆ClNO₁₁
Molecular Weight:
796.43
Synonyms:
Desmethyl SDZ-ASM 981
SMILES:
CO[C@@H]1[C@]2([H])O[C@]([C@@H](C1)C)(C(C(N3[C@](CCCC3)([H])C(O[C@@H]([C@@H]([C@H](CC([C@@H](/C=C(C[C@@H](C[C@@H]2OC)C)\C)C)=O)O)C)/C(C)=C/[C@H]4C[C@H]([C@H](CC4)Cl)OC)=O)=O)=O)O
Tpsa:
158.13
Logp:
5.3293
H Acceptors:
11
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: C₁₄H₁₈BClN₂O₂
Molecular Weight: 292.57
Synonyms: None
SMILES: N#CC=1C=C(C=C(NC)C1Cl)B2OC(C)(C)C(O2)(C)C
Tpsa: 54.28
Logp: 2.55258
H Acceptors: 4
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:
C₁₄H₁₈BClN₂O₂
Molecular Weight:
292.57
Synonyms:
None
SMILES:
N#CC=1C=C(C=C(NC)C1Cl)B2OC(C)(C)C(O2)(C)C
Tpsa:
54.28
Logp:
2.55258
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2