CS-0531508
4-(Diethylamino)but-2-yn-1-yl 2-(cyclohex-3-en-1-yl)-2-cyclohexyl-2-hydroxyacetate Oxybutynin Impurity
Manufacturer: ChemScene
CAS Number: 1199574-71-4
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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
C₂₂H₃₅NO₃
Molecular Weight
361.52
Synonyms
alpha-Desphenyl-alpha-cyclohexenyl oxybutynin
SMILES
O=C(C(C1CC=CCC1)(C2CCCCC2)O)OCC#CCN(CC)CC
Tpsa
49.77
Logp
3.5425
H Acceptors
4
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: C₂₂H₃₅NO₃
Molecular Weight: 361.52
Synonyms: alpha-Desphenyl-alpha-cyclohexenyl oxybutynin
SMILES: O=C(C(C1CC=CCC1)(C2CCCCC2)O)OCC#CCN(CC)CC
Tpsa: 49.77
Logp: 3.5425
H Acceptors: 4
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:
C₂₂H₃₅NO₃
Molecular Weight:
361.52
Synonyms:
alpha-Desphenyl-alpha-cyclohexenyl oxybutynin
SMILES:
O=C(C(C1CC=CCC1)(C2CCCCC2)O)OCC#CCN(CC)CC
Tpsa:
49.77
Logp:
3.5425
H Acceptors:
4
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: C₂₄H₂₈N₂O₅
Molecular Weight: 424.49
Synonyms: CGP 14829A
SMILES: OC(CN1C2=CC=CC=C2CC[C@@H](C1=O)N[C@@H](C(OCC)=O)CCC3=CC=CC=C3)=O
Tpsa: 95.94
Logp: 2.5731
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₂₈N₂O₅
Molecular Weight:
424.49
Synonyms:
CGP 14829A
SMILES:
OC(CN1C2=CC=CC=C2CC[C@@H](C1=O)N[C@@H](C(OCC)=O)CCC3=CC=CC=C3)=O
Tpsa:
95.94
Logp:
2.5731
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₅H₃₁ClINO₃
Molecular Weight: 555.88
Synonyms: Deiodo Amiodarone Hydrochloride
SMILES: O=C(C1=C(CCCC)OC2=C1C=CC=C2)C3=CC=C(C(I)=C3)OCCN(CC)CC.Cl
Tpsa: 42.68
Logp: 6.7534
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₃₁ClINO₃
Molecular Weight:
555.88
Synonyms:
Deiodo Amiodarone Hydrochloride
SMILES:
O=C(C1=C(CCCC)OC2=C1C=CC=C2)C3=CC=C(C(I)=C3)OCCN(CC)CC.Cl
Tpsa:
42.68
Logp:
6.7534
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₂₃NO₂
Molecular Weight: 237.34
Synonyms: 2-Propanol, 1-(4-ethylphenoxy)-3-[(1-methylethyl)amino]-
SMILES: OC(CNC(C)C)COC1=CC=C(CC)C=C1
Tpsa: 41.49
Logp: 1.9867
H Acceptors: 3
H Donors: 2
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:
C₁₄H₂₃NO₂
Molecular Weight:
237.34
Synonyms:
2-Propanol, 1-(4-ethylphenoxy)-3-[(1-methylethyl)amino]-
SMILES:
OC(CNC(C)C)COC1=CC=C(CC)C=C1
Tpsa:
41.49
Logp:
1.9867
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
7