CS-1000678
Benidipine Impurity 27
Manufacturer: ChemScene
CAS Number: 1202017-92-2
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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
C₂₅H₂₅N₃O₆
Molecular Weight
463.48
Synonyms
None
SMILES
O=C(OC)C1=C(N=C(C(C(=O)OCCNCC=2C=CC=CC2)=C1C=3C=CC=C(C3)N(=O)=O)C)C
Tpsa
120.66
Logp
4.00684
H Acceptors
8
H Donors
1
Rotatable Bonds
9
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: C₂₅H₂₅N₃O₆
Molecular Weight: 463.48
Synonyms: None
SMILES: O=C(OC)C1=C(N=C(C(C(=O)OCCNCC=2C=CC=CC2)=C1C=3C=CC=C(C3)N(=O)=O)C)C
Tpsa: 120.66
Logp: 4.00684
H Acceptors: 8
H Donors: 1
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₂₅N₃O₆
Molecular Weight:
463.48
Synonyms:
None
SMILES:
O=C(OC)C1=C(N=C(C(C(=O)OCCNCC=2C=CC=CC2)=C1C=3C=CC=C(C3)N(=O)=O)C)C
Tpsa:
120.66
Logp:
4.00684
H Acceptors:
8
H Donors:
1
Rotatable Bonds:
9
Purity: ≥90%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇₂H₁₁₂NaO₅₆S₈
Molecular Weight: 2153.14
Synonyms: None
SMILES: C(S(CCC(O)=O)=O)[C@@H]1[C@]2(O[C@]3(O[C@H](CS(CCC(O)=O)=O)[C@]([C@H](O)[C@H]3O)(O[C@]4(O[C@H](CS(CCC(O)=O)=O)[C@]([C@H](O)[C@H]4O)(O[C@]5(O[C@H](CS(CCC(O)=O)=O)[C@]([C@H](O)[C@H]5O)(O[C@]6(O[C@H](CS(CCC(O)=O)=O)[C@@](O[C@]7(O[C@H](CS(CCC(O)=O)=O)[C@@](O[C@]8(O[C@H](CS(CCC(O)=O)=O)[C@@](O[C@]9(O[C@H](CS(CCC(O)=O)=O)[C@@](O[C@@](O1)([C@H](O)[C@H]2O)[H])([C@H](O)C9O)[H])[H])([C@H](O)C8O)[H])[H])([C@H](O)[C@H]7O)[H])[H])(C(O)[C@H]6O)[H])[H])[H])[H])[H])[H])[H])[H])[H].[Na]
Tpsa: 906.32
Logp: -15.9384
H Acceptors: 48
H Donors: 24
Rotatable Bonds: 40
Purity:
≥90%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇₂H₁₁₂NaO₅₆S₈
Molecular Weight:
2153.14
Synonyms:
None
SMILES:
C(S(CCC(O)=O)=O)[C@@H]1[C@]2(O[C@]3(O[C@H](CS(CCC(O)=O)=O)[C@]([C@H](O)[C@H]3O)(O[C@]4(O[C@H](CS(CCC(O)=O)=O)[C@]([C@H](O)[C@H]4O)(O[C@]5(O[C@H](CS(CCC(O)=O)=O)[C@]([C@H](O)[C@H]5O)(O[C@]6(O[C@H](CS(CCC(O)=O)=O)[C@@](O[C@]7(O[C@H](CS(CCC(O)=O)=O)[C@@](O[C@]8(O[C@H](CS(CCC(O)=O)=O)[C@@](O[C@]9(O[C@H](CS(CCC(O)=O)=O)[C@@](O[C@@](O1)([C@H](O)[C@H]2O)[H])([C@H](O)C9O)[H])[H])([C@H](O)C8O)[H])[H])([C@H](O)[C@H]7O)[H])[H])(C(O)[C@H]6O)[H])[H])[H])[H])[H])[H])[H])[H])[H].[Na]
Tpsa:
906.32
Logp:
-15.9384
H Acceptors:
48
H Donors:
24
Rotatable Bonds:
40
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₃H₂₆F₃N₃O₄
Molecular Weight: 465.47
Synonyms: None
SMILES: O(C[C@@]1(C)CN=C(N)O1)C2=CC=C(C=C2)N3CCC(OC4=CC=C(OC(F)(F)F)C=C4)CC3
Tpsa: 78.54
Logp: 4.1154
H Acceptors: 7
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:
C₂₃H₂₆F₃N₃O₄
Molecular Weight:
465.47
Synonyms:
None
SMILES:
O(C[C@@]1(C)CN=C(N)O1)C2=CC=C(C=C2)N3CCC(OC4=CC=C(OC(F)(F)F)C=C4)CC3
Tpsa:
78.54
Logp:
4.1154
H Acceptors:
7
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: C₃₀H₃₆O₅
Molecular Weight: 476.60
Synonyms: None
SMILES: C(CC(CCCCCCC)=O)[C@@H]1[C@@]2([C@](C[C@H]1OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)(OC(=O)C2)[H])[H]
Tpsa: 69.67
Logp: 6.5404
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₀H₃₆O₅
Molecular Weight:
476.60
Synonyms:
None
SMILES:
C(CC(CCCCCCC)=O)[C@@H]1[C@@]2([C@](C[C@H]1OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)(OC(=O)C2)[H])[H]
Tpsa:
69.67
Logp:
6.5404
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
12