CS-0132780
Clemastine N-oxide
Manufacturer: ChemScene
CAS Number: 108825-05-4
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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
C₂₁H₂₆ClNO₂
Molecular Weight
359.89
Synonyms
(2R)-2-{2-[(1R)-1-(4-Chlorophenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidine 1-oxide
SMILES
C[N+]1([O-])[C@@H](CCO[C@](C2=CC=CC=C2)(C3=CC=C(Cl)C=C3)C)CCC1
Tpsa
32.29
Logp
5.117
H Acceptors
2
H Donors
0
Rotatable Bonds
6
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: C₂₁H₂₆ClNO₂
Molecular Weight: 359.89
Synonyms: (2R)-2-{2-[(1R)-1-(4-Chlorophenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidine 1-oxide
SMILES: C[N+]1([O-])[C@@H](CCO[C@](C2=CC=CC=C2)(C3=CC=C(Cl)C=C3)C)CCC1
Tpsa: 32.29
Logp: 5.117
H Acceptors: 2
H Donors: 0
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:
C₂₁H₂₆ClNO₂
Molecular Weight:
359.89
Synonyms:
(2R)-2-{2-[(1R)-1-(4-Chlorophenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidine 1-oxide
SMILES:
C[N+]1([O-])[C@@H](CCO[C@](C2=CC=CC=C2)(C3=CC=C(Cl)C=C3)C)CCC1
Tpsa:
32.29
Logp:
5.117
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₂₀FN₃O₅
Molecular Weight: 377.37
Synonyms: None
SMILES: O=C(C(C1=O)=CN2[C@@H](C)COC3=C(N4CC[N+](C)([O-])CC4)C(F)=CC1=C23)O
Tpsa: 94.83
Logp: 1.5566
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₂₀FN₃O₅
Molecular Weight:
377.37
Synonyms:
None
SMILES:
O=C(C(C1=O)=CN2[C@@H](C)COC3=C(N4CC[N+](C)([O-])CC4)C(F)=CC1=C23)O
Tpsa:
94.83
Logp:
1.5566
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: MFCD00150750
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₄₁NaO₅
Molecular Weight: 432.57
Synonyms: Cholanoic Acid (sodium hydrate); Desoxycholic acid (sodium hydrate)
SMILES: C[C@@]12[C@](CC[C@]2([H])[C@H](C)CCC(O[Na])=O)([H])[C@@]3([H])[C@@](C[C@@H]1O)([H])[C@@]4([C@](C[C@@H](CC4)O)([H])CC3)C.O
Tpsa: 98.26
Logp: 3.1953
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 4
Purity:
98%
MDL No:
MFCD00150750
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₄₁NaO₅
Molecular Weight:
432.57
Synonyms:
Cholanoic Acid (sodium hydrate); Desoxycholic acid (sodium hydrate)
SMILES:
C[C@@]12[C@](CC[C@]2([H])[C@H](C)CCC(O[Na])=O)([H])[C@@]3([H])[C@@](C[C@@H]1O)([H])[C@@]4([C@](C[C@@H](CC4)O)([H])CC3)C.O
Tpsa:
98.26
Logp:
3.1953
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
4
Purity: 96%
MDL No: MFCD00083328
Storage: -20°C, sealed storage, away from moisture and light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₉H₂₂K₅N₃O₁₄
Molecular Weight: 831.99
Synonyms: None
SMILES: O=C(C1=CN=C(C2=CC3=CC(OCCOC4=CC(C)=CC=C4N(CC(O[K])=O)CC(O[K])=O)=C(N(CC(O[K])=O)CC(O[K])=O)C=C3O2)O1)O[K]
Tpsa: 195.61
Logp: 0.21392
H Acceptors: 17
H Donors: 0
Rotatable Bonds: 17
Purity:
96%
MDL No:
MFCD00083328
Storage:
-20°C, sealed storage, away from moisture and light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₂₂K₅N₃O₁₄
Molecular Weight:
831.99
Synonyms:
None
SMILES:
O=C(C1=CN=C(C2=CC3=CC(OCCOC4=CC(C)=CC=C4N(CC(O[K])=O)CC(O[K])=O)=C(N(CC(O[K])=O)CC(O[K])=O)C=C3O2)O1)O[K]
Tpsa:
195.61
Logp:
0.21392
H Acceptors:
17
H Donors:
0
Rotatable Bonds:
17