CS-1000595
Naltrexone Methylbromide Impurity 3
Manufacturer: ChemScene
CAS Number: 1178899-11-0
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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
C₂₁H₂₄BrNO₅
Molecular Weight
450.32
Synonyms
None
SMILES
O[C@]12[C@@]34C=5C(O[C@]3(C(=O)CC1=O)[H])=C(O)C=CC5C[C@]2([N@+](CC6CC6)(C)CC4)[H].[Br-]
Tpsa
83.83
Logp
-2.147
H Acceptors
5
H Donors
2
Rotatable Bonds
2
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: C₂₁H₂₄BrNO₅
Molecular Weight: 450.32
Synonyms: None
SMILES: O[C@]12[C@@]34C=5C(O[C@]3(C(=O)CC1=O)[H])=C(O)C=CC5C[C@]2([N@+](CC6CC6)(C)CC4)[H].[Br-]
Tpsa: 83.83
Logp: -2.147
H Acceptors: 5
H Donors: 2
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:
C₂₁H₂₄BrNO₅
Molecular Weight:
450.32
Synonyms:
None
SMILES:
O[C@]12[C@@]34C=5C(O[C@]3(C(=O)CC1=O)[H])=C(O)C=CC5C[C@]2([N@+](CC6CC6)(C)CC4)[H].[Br-]
Tpsa:
83.83
Logp:
-2.147
H Acceptors:
5
H Donors:
2
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: C₂₇H₂₇NO₁₁
Molecular Weight: 541.50
Synonyms: None
SMILES: OC=1C2=C([C@@H](O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C[C@@](C(C=O)=O)(O)C2)C(O)=C4C1C(=O)C=5C(C4=O)=C(OC)C=CC5
Tpsa: 202.91
Logp: 0.2079
H Acceptors: 12
H Donors: 5
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:
C₂₇H₂₇NO₁₁
Molecular Weight:
541.50
Synonyms:
None
SMILES:
OC=1C2=C([C@@H](O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C[C@@](C(C=O)=O)(O)C2)C(O)=C4C1C(=O)C=5C(C4=O)=C(OC)C=CC5
Tpsa:
202.91
Logp:
0.2079
H Acceptors:
12
H Donors:
5
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: C₂₂H₂₆FN₃O₄
Molecular Weight: 415.46
Synonyms: None
SMILES: O=C(O)C1=CN(C2=C(OC)C(=C(F)C=C2C1=O)N3CC4N(C)CCCC4C3)C5CC5
Tpsa: 75.01
Logp: 2.7127
H Acceptors: 6
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:
C₂₂H₂₆FN₃O₄
Molecular Weight:
415.46
Synonyms:
None
SMILES:
O=C(O)C1=CN(C2=C(OC)C(=C(F)C=C2C1=O)N3CC4N(C)CCCC4C3)C5CC5
Tpsa:
75.01
Logp:
2.7127
H Acceptors:
6
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: C₁₉H₂₁Cl₂N₃O
Molecular Weight: 378.30
Synonyms: None
SMILES: Cl.O=C(N(C)C)C(Cl)C1=C(N=C2C=CC(=CN21)C)C3=CC=C(C=C3)C
Tpsa: 37.61
Logp: 4.40804
H Acceptors: 3
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:
C₁₉H₂₁Cl₂N₃O
Molecular Weight:
378.30
Synonyms:
None
SMILES:
Cl.O=C(N(C)C)C(Cl)C1=C(N=C2C=CC(=CN21)C)C3=CC=C(C=C3)C
Tpsa:
37.61
Logp:
4.40804
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
3