CS-0379803
2-(3-((1-Ethoxy-1-oxo-4-phenylbutan-2-yl)amino)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)acetic acid Benazepril Impurity
Manufacturer: ChemScene
CAS Number: 98626-50-7
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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
C₂₄H₂₈N₂O₅
Molecular Weight
424.49
Synonyms
1H-1-Benzazepine-1-acetic acid, 3-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)-2,3,4,5-tetrahydro-2-oxo-
SMILES
O=C(O)CN1C(C(NC(C(OCC)=O)CCC2=CC=CC=C2)CCC3=CC=CC=C31)=O
Tpsa
95.94
Logp
2.5731
H Acceptors
5
H Donors
2
Rotatable Bonds
9
Related Products
SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₂₄H₂₈N₂O₅
Molecular Weight: 424.49
Synonyms: 1H-1-Benzazepine-1-acetic acid, 3-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)-2,3,4,5-tetrahydro-2-oxo-
SMILES: O=C(O)CN1C(C(NC(C(OCC)=O)CCC2=CC=CC=C2)CCC3=CC=CC=C31)=O
Tpsa: 95.94
Logp: 2.5731
H Acceptors: 5
H Donors: 2
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:
C₂₄H₂₈N₂O₅
Molecular Weight:
424.49
Synonyms:
1H-1-Benzazepine-1-acetic acid, 3-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)-2,3,4,5-tetrahydro-2-oxo-
SMILES:
O=C(O)CN1C(C(NC(C(OCC)=O)CCC2=CC=CC=C2)CCC3=CC=CC=C31)=O
Tpsa:
95.94
Logp:
2.5731
H Acceptors:
5
H Donors:
2
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: C₁₉H₁₈N₄O₆
Molecular Weight: 398.37
Synonyms: Nifedipine Impurity 7(a mixture of cis and trans isomers)
SMILES: O=C(C1=C(C)NC(C2=CC=CC=C2[N+]([O-])=O)NC1C3=CC=CC=C3[N+]([O-])=O)OC
Tpsa: 136.64
Logp: 2.8827
H Acceptors: 8
H Donors: 2
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:
C₁₉H₁₈N₄O₆
Molecular Weight:
398.37
Synonyms:
Nifedipine Impurity 7(a mixture of cis and trans isomers)
SMILES:
O=C(C1=C(C)NC(C2=CC=CC=C2[N+]([O-])=O)NC1C3=CC=CC=C3[N+]([O-])=O)OC
Tpsa:
136.64
Logp:
2.8827
H Acceptors:
8
H Donors:
2
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: C₁₉H₂₈ClNO₉
Molecular Weight: 449.88
Synonyms: None
SMILES: O=C(C(C)(C)C)OC1=CC=C(C(CNC)=O)C=C1OC(C(C)(C)C)=O.O=Cl(=O)(O)=O
Tpsa: 171.11
Logp: -1.1323
H Acceptors: 10
H Donors: 2
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:
C₁₉H₂₈ClNO₉
Molecular Weight:
449.88
Synonyms:
None
SMILES:
O=C(C(C)(C)C)OC1=CC=C(C(CNC)=O)C=C1OC(C(C)(C)C)=O.O=Cl(=O)(O)=O
Tpsa:
171.11
Logp:
-1.1323
H Acceptors:
10
H Donors:
2
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: C₃₉H₇₂N₂O₁₃
Molecular Weight: 776.99
Synonyms: Clarithromycin (9Z)-O-Methyloxime
SMILES: CO[C@](C)(C[C@H](/C([C@@H]([C@H]([C@](O)([C@H](OC([C@@H]([C@H]([C@@H]1C)O[C@H]2C[C@](C)([C@H]([C@@H](O2)C)O)OC)C)=O)CC)C)O)C)=N/OC)C)[C@@H]1O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O
Tpsa: 187.43
Logp: 2.873
H Acceptors: 15
H Donors: 4
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:
C₃₉H₇₂N₂O₁₃
Molecular Weight:
776.99
Synonyms:
Clarithromycin (9Z)-O-Methyloxime
SMILES:
CO[C@](C)(C[C@H](/C([C@@H]([C@H]([C@](O)([C@H](OC([C@@H]([C@H]([C@@H]1C)O[C@H]2C[C@](C)([C@H]([C@@H](O2)C)O)OC)C)=O)CC)C)O)C)=N/OC)C)[C@@H]1O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O
Tpsa:
187.43
Logp:
2.873
H Acceptors:
15
H Donors:
4
Rotatable Bonds:
9