CS-1000951
Aripiprazole Impurity 58
Manufacturer: ChemScene
CAS Number: 129722-22-1
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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
C₂₃H₂₆Cl₃N₃O₂
Molecular Weight
482.83
Synonyms
None
SMILES
O=C1NC2=CC(OCCCCN3CCN(C=4C=C(Cl)C=C(Cl)C4Cl)CC3)=CC=C2CC1
Tpsa
44.81
Logp
5.5127
H Acceptors
4
H Donors
1
Rotatable Bonds
7
SAFETY INFORMATION
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: C₂₃H₂₆Cl₃N₃O₂
Molecular Weight: 482.83
Synonyms: None
SMILES: O=C1NC2=CC(OCCCCN3CCN(C=4C=C(Cl)C=C(Cl)C4Cl)CC3)=CC=C2CC1
Tpsa: 44.81
Logp: 5.5127
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:
C₂₃H₂₆Cl₃N₃O₂
Molecular Weight:
482.83
Synonyms:
None
SMILES:
O=C1NC2=CC(OCCCCN3CCN(C=4C=C(Cl)C=C(Cl)C4Cl)CC3)=CC=C2CC1
Tpsa:
44.81
Logp:
5.5127
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: C₁₅H₁₃F₂NO₄
Molecular Weight: 309.26
Synonyms: None
SMILES: O=C1C=2C3=C(C(F)=C(F)C2)O[C@@H](C)CN3C=C1C(OCC)=O
Tpsa: 57.53
Logp: 2.2373
H Acceptors: 5
H Donors: 0
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:
C₁₅H₁₃F₂NO₄
Molecular Weight:
309.26
Synonyms:
None
SMILES:
O=C1C=2C3=C(C(F)=C(F)C2)O[C@@H](C)CN3C=C1C(OCC)=O
Tpsa:
57.53
Logp:
2.2373
H Acceptors:
5
H Donors:
0
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: C₁₆H₂₁NO
Molecular Weight: 243.34
Synonyms: None
SMILES: N1=C(OCC1(C)C)C(C2=CC=C(C=C)C=C2)(C)C
Tpsa: 21.59
Logp: 3.8145
H Acceptors: 2
H Donors: 0
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:
C₁₆H₂₁NO
Molecular Weight:
243.34
Synonyms:
None
SMILES:
N1=C(OCC1(C)C)C(C2=CC=C(C=C)C=C2)(C)C
Tpsa:
21.59
Logp:
3.8145
H Acceptors:
2
H Donors:
0
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: C₂₀H₂₁ClO₇
Molecular Weight: 408.83
Synonyms: None
SMILES: O[C@H]1[C@@]2(O[C@@](CO)(CO2)[C@@H](O)[C@@H]1O)C3=CC(CC4=CC=C(O)C=C4)=C(Cl)C=C3
Tpsa: 119.61
Logp: 0.6634
H Acceptors: 7
H Donors: 5
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:
C₂₀H₂₁ClO₇
Molecular Weight:
408.83
Synonyms:
None
SMILES:
O[C@H]1[C@@]2(O[C@@](CO)(CO2)[C@@H](O)[C@@H]1O)C3=CC(CC4=CC=C(O)C=C4)=C(Cl)C=C3
Tpsa:
119.61
Logp:
0.6634
H Acceptors:
7
H Donors:
5
Rotatable Bonds:
4