CS-1000628
Benidipine Impurity U
Manufacturer: ChemScene
CAS Number: 119009-44-8
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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
C₂₈H₃₁N₃O₆
Molecular Weight
505.56
Synonyms
None
SMILES
C(O[C@@H]1CN(CC2=CC=CC=C2)CCC1)(=O)C=3[C@H](C(C(OC)=O)=C(C)NC3C)C4=CC(N(=O)=O)=CC=C4
Tpsa
111.01
Logp
4.2104
H Acceptors
8
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: C₂₈H₃₁N₃O₆
Molecular Weight: 505.56
Synonyms: None
SMILES: C(O[C@@H]1CN(CC2=CC=CC=C2)CCC1)(=O)C=3[C@H](C(C(OC)=O)=C(C)NC3C)C4=CC(N(=O)=O)=CC=C4
Tpsa: 111.01
Logp: 4.2104
H Acceptors: 8
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:
C₂₈H₃₁N₃O₆
Molecular Weight:
505.56
Synonyms:
None
SMILES:
C(O[C@@H]1CN(CC2=CC=CC=C2)CCC1)(=O)C=3[C@H](C(C(OC)=O)=C(C)NC3C)C4=CC(N(=O)=O)=CC=C4
Tpsa:
111.01
Logp:
4.2104
H Acceptors:
8
H Donors:
1
Rotatable Bonds:
7
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₈H₃₁N₃O₆
Molecular Weight: 505.56
Synonyms: None
SMILES: C(O[C@@H]1CN(CC2=CC=CC=C2)CCC1)(=O)C=3[C@@H](C(C(OC)=O)=C(C)NC3C)C4=CC(N(=O)=O)=CC=C4
Tpsa: 111.01
Logp: 4.2104
H Acceptors: 8
H Donors: 1
Rotatable Bonds: 7
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₈H₃₁N₃O₆
Molecular Weight:
505.56
Synonyms:
None
SMILES:
C(O[C@@H]1CN(CC2=CC=CC=C2)CCC1)(=O)C=3[C@@H](C(C(OC)=O)=C(C)NC3C)C4=CC(N(=O)=O)=CC=C4
Tpsa:
111.01
Logp:
4.2104
H Acceptors:
8
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: C₉H₈ClNO₃
Molecular Weight: 213.62
Synonyms: None
SMILES: O=C(N)C=1C=CC=CC1OC(=O)CCl
Tpsa: 69.39
Logp: 0.9297
H Acceptors: 3
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:
C₉H₈ClNO₃
Molecular Weight:
213.62
Synonyms:
None
SMILES:
O=C(N)C=1C=CC=CC1OC(=O)CCl
Tpsa:
69.39
Logp:
0.9297
H Acceptors:
3
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: C₂₀H₁₉ClN₂O₄
Molecular Weight: 386.83
Synonyms: None
SMILES: C(OC)(=O)[C@@H]1CC2=C([C@@H](N1)C=3C=C4C(=CC3)OCO4)NC=5C2=CC=CC5.Cl
Tpsa: 72.58
Logp: 3.0951
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:
C₂₀H₁₉ClN₂O₄
Molecular Weight:
386.83
Synonyms:
None
SMILES:
C(OC)(=O)[C@@H]1CC2=C([C@@H](N1)C=3C=C4C(=CC3)OCO4)NC=5C2=CC=CC5.Cl
Tpsa:
72.58
Logp:
3.0951
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
2