CS-1003309
Tolvaptan Impurity 26
Manufacturer: ChemScene
CAS Number: 2657689-34-2
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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
C₄₂H₃₆ClN₃O₅
Molecular Weight
698.21
Synonyms
None
SMILES
O=C(NC1=CC=C(C(=O)N(C(=O)C=2C=CC=CC2C)C3=CC=C(C(=O)N4C5=CC=C(Cl)C=C5C(=O)CCC4)C(=C3)C)C(=C1)C)C=6C=CC=CC6C
Tpsa
103.86
Logp
8.93648
H Acceptors
5
H Donors
1
Rotatable Bonds
6
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: C₄₂H₃₆ClN₃O₅
Molecular Weight: 698.21
Synonyms: None
SMILES: O=C(NC1=CC=C(C(=O)N(C(=O)C=2C=CC=CC2C)C3=CC=C(C(=O)N4C5=CC=C(Cl)C=C5C(=O)CCC4)C(=C3)C)C(=C1)C)C=6C=CC=CC6C
Tpsa: 103.86
Logp: 8.93648
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₂H₃₆ClN₃O₅
Molecular Weight:
698.21
Synonyms:
None
SMILES:
O=C(NC1=CC=C(C(=O)N(C(=O)C=2C=CC=CC2C)C3=CC=C(C(=O)N4C5=CC=C(Cl)C=C5C(=O)CCC4)C(=C3)C)C(=C1)C)C=6C=CC=CC6C
Tpsa:
103.86
Logp:
8.93648
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₄O₅
Molecular Weight: 286.28
Synonyms: None
SMILES: O=CC1=CC=C(OC(=O)C2=CC=C(OC)C(OC)=C2)C=C1
Tpsa: 61.83
Logp: 2.7355
H Acceptors: 5
H Donors: 0
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:
C₁₆H₁₄O₅
Molecular Weight:
286.28
Synonyms:
None
SMILES:
O=CC1=CC=C(OC(=O)C2=CC=C(OC)C(OC)=C2)C=C1
Tpsa:
61.83
Logp:
2.7355
H Acceptors:
5
H Donors:
0
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: C₁₂H₁₄N₂O₄
Molecular Weight: 250.25
Synonyms: None
SMILES: C(NC1=CC(C(O)=O)=CC=C1)(=O)[C@@H]2C[C@H](O)CN2
Tpsa: 98.66
Logp: 0.0461
H Acceptors: 4
H Donors: 4
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:
C₁₂H₁₄N₂O₄
Molecular Weight:
250.25
Synonyms:
None
SMILES:
C(NC1=CC(C(O)=O)=CC=C1)(=O)[C@@H]2C[C@H](O)CN2
Tpsa:
98.66
Logp:
0.0461
H Acceptors:
4
H Donors:
4
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: C₃H₃Cl₂F₃O
Molecular Weight: 182.96
Synonyms: None
SMILES: FC(F)(F)COC(Cl)Cl
Tpsa: 9.23
Logp: 2.3265
H Acceptors: 1
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:
C₃H₃Cl₂F₃O
Molecular Weight:
182.96
Synonyms:
None
SMILES:
FC(F)(F)COC(Cl)Cl
Tpsa:
9.23
Logp:
2.3265
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
2