CS-1000591
Ritonavir Impurity 55
Manufacturer: ChemScene
CAS Number: 1177797-84-0
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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
C₃₇H₄₈N₆O₅S₂
Molecular Weight
720.94
Synonyms
None
SMILES
[C@H](CC1=CC=CC=C1)(C[C@@H]([C@H](CC2=CC=CC=C2)NC(OCC3=CN=CS3)=O)O)NC([C@H](NC(N(CC=4SC(C(C)C)=NC4)C)=O)C(C)C)=O
Tpsa
145.78
Logp
5.9052
H Acceptors
9
H Donors
4
Rotatable Bonds
17
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: C₃₇H₄₈N₆O₅S₂
Molecular Weight: 720.94
Synonyms: None
SMILES: [C@H](CC1=CC=CC=C1)(C[C@@H]([C@H](CC2=CC=CC=C2)NC(OCC3=CN=CS3)=O)O)NC([C@H](NC(N(CC=4SC(C(C)C)=NC4)C)=O)C(C)C)=O
Tpsa: 145.78
Logp: 5.9052
H Acceptors: 9
H Donors: 4
Rotatable Bonds: 17
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₇H₄₈N₆O₅S₂
Molecular Weight:
720.94
Synonyms:
None
SMILES:
[C@H](CC1=CC=CC=C1)(C[C@@H]([C@H](CC2=CC=CC=C2)NC(OCC3=CN=CS3)=O)O)NC([C@H](NC(N(CC=4SC(C(C)C)=NC4)C)=O)C(C)C)=O
Tpsa:
145.78
Logp:
5.9052
H Acceptors:
9
H Donors:
4
Rotatable Bonds:
17
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₈BrClN₂O
Molecular Weight: 345.66
Synonyms: None
SMILES: O=C(C1=CC(Br)=CC=C1Cl)N2CCN(CC2)C(C)C
Tpsa: 23.55
Logp: 3.2687
H Acceptors: 2
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:
C₁₄H₁₈BrClN₂O
Molecular Weight:
345.66
Synonyms:
None
SMILES:
O=C(C1=CC(Br)=CC=C1Cl)N2CCN(CC2)C(C)C
Tpsa:
23.55
Logp:
3.2687
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
2
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₇NO₃
Molecular Weight: 165.15
Synonyms: None
SMILES: O=C1C2=CC(O)=C(O)C=C2NC1
Tpsa: 69.56
Logp: 0.706
H Acceptors: 4
H Donors: 3
Rotatable Bonds: 0
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₇NO₃
Molecular Weight:
165.15
Synonyms:
None
SMILES:
O=C1C2=CC(O)=C(O)C=C2NC1
Tpsa:
69.56
Logp:
0.706
H Acceptors:
4
H Donors:
3
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: 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