CS-0531867
4-(4'-Chloro-[1,1'-biphenyl]-4-yl)-1-(4-(4-fluorophenyl)-4-oxobutyl)piperidin-4-yl decanoate Haloperidol Impurity
Manufacturer: ChemScene
CAS Number: 1796933-22-6
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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
C₃₇H₄₅ClFNO₃
Molecular Weight
606.21
Synonyms
Haloperidol Decanoate Impurity 5（Haloperidol Decanoate EP Impurity E）
SMILES
O=C(CCCCCCCCC)OC1(CCN(CC1)CCCC(C2=CC=C(C=C2)F)=O)C3=CC=C(C4=CC=C(Cl)C=C4)C=C3
Tpsa
46.61
Logp
9.7842
H Acceptors
4
H Donors
0
Rotatable Bonds
16
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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: C₃₇H₄₅ClFNO₃
Molecular Weight: 606.21
Synonyms: Haloperidol Decanoate Impurity 5（Haloperidol Decanoate EP Impurity E）
SMILES: O=C(CCCCCCCCC)OC1(CCN(CC1)CCCC(C2=CC=C(C=C2)F)=O)C3=CC=C(C4=CC=C(Cl)C=C4)C=C3
Tpsa: 46.61
Logp: 9.7842
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 16
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₇H₄₅ClFNO₃
Molecular Weight:
606.21
Synonyms:
Haloperidol Decanoate Impurity 5（Haloperidol Decanoate EP Impurity E）
SMILES:
O=C(CCCCCCCCC)OC1(CCN(CC1)CCCC(C2=CC=C(C=C2)F)=O)C3=CC=C(C4=CC=C(Cl)C=C4)C=C3
Tpsa:
46.61
Logp:
9.7842
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
16
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₂₀N₂O₃
Molecular Weight: 324.37
Synonyms: (E)-3-anilino-2-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enenitrile
SMILES: N#C/C(CC1=CC(OC)=C(C(OC)=C1)OC)=C/NC2=CC=CC=C2
Tpsa: 63.51
Logp: 3.77448
H Acceptors: 5
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:
C₁₉H₂₀N₂O₃
Molecular Weight:
324.37
Synonyms:
(E)-3-anilino-2-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enenitrile
SMILES:
N#C/C(CC1=CC(OC)=C(C(OC)=C1)OC)=C/NC2=CC=CC=C2
Tpsa:
63.51
Logp:
3.77448
H Acceptors:
5
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: C₆H₁₀O₂
Molecular Weight: 114.14
Synonyms: (R)-δ-Methyl-δ-valerolactone, (R)-6-Methyltetrahydro-2H-pyran-2-one
SMILES: C[C@H](CCC1)OC1=O
Tpsa: 26.3
Logp: 1.102
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₁₀O₂
Molecular Weight:
114.14
Synonyms:
(R)-δ-Methyl-δ-valerolactone, (R)-6-Methyltetrahydro-2H-pyran-2-one
SMILES:
C[C@H](CCC1)OC1=O
Tpsa:
26.3
Logp:
1.102
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₇N₃O₃
Molecular Weight: 157.13
Synonyms: Imidazole-1-ethanol, 2-nitro-
SMILES: OCCN1C=CN=C1[N+]([O-])=O
Tpsa: 81.19
Logp: -0.2164
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₇N₃O₃
Molecular Weight:
157.13
Synonyms:
Imidazole-1-ethanol, 2-nitro-
SMILES:
OCCN1C=CN=C1[N+]([O-])=O
Tpsa:
81.19
Logp:
-0.2164
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
3