CS-0531655
N-(3-Butyryl-4-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)butyramide hydrochloride Acebutolol Impurity
Manufacturer: ChemScene
CAS Number: 57898-71-2
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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
C₂₀H₃₃ClN₂O₄
Molecular Weight
400.94
Synonyms
N-(3-Butyryl-4-(2-hydroxy-3-(isopropylamino)-propoxy)phenyl)butyramide hydrochloride
SMILES
O=C(CCC)NC1=CC=C(C(C(CCC)=O)=C1)OCC(CNC(C)C)O.Cl
Tpsa
87.66
Logp
3.5675
H Acceptors
5
H Donors
3
Rotatable Bonds
12
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 57898-71-2 | rac 3-Deacetyl-3-butanoyl Acebutolol Hydrochloride | A2B Chem | -- |
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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: C₂₀H₃₃ClN₂O₄
Molecular Weight: 400.94
Synonyms: N-(3-Butyryl-4-(2-hydroxy-3-(isopropylamino)-propoxy)phenyl)butyramide hydrochloride
SMILES: O=C(CCC)NC1=CC=C(C(C(CCC)=O)=C1)OCC(CNC(C)C)O.Cl
Tpsa: 87.66
Logp: 3.5675
H Acceptors: 5
H Donors: 3
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:
C₂₀H₃₃ClN₂O₄
Molecular Weight:
400.94
Synonyms:
N-(3-Butyryl-4-(2-hydroxy-3-(isopropylamino)-propoxy)phenyl)butyramide hydrochloride
SMILES:
O=C(CCC)NC1=CC=C(C(C(CCC)=O)=C1)OCC(CNC(C)C)O.Cl
Tpsa:
87.66
Logp:
3.5675
H Acceptors:
5
H Donors:
3
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: C₅₉H₈₄N₁₆O₁₂
Molecular Weight: 1209.40
Synonyms: (D-Leu7)-leuprolide
SMILES: O=C([C@@H]1CCC(N1)=O)N[C@@H](CC2=CN=CN2)C(N[C@H](C(N[C@@H](CO)C(N[C@H](C(N[C@H](CC(C)C)C(N[C@H](CC(C)C)C(N[C@@H](CCCNC(N)=N)C(N3[C@@H](CCC3)C(NCC)=O)=O)=O)=O)=O)CC4=CC=C(C=C4)O)=O)=O)CC5=CNC6=CC=CC=C56)=O
Tpsa: 429.04
Logp: -1.22843
H Acceptors: 14
H Donors: 16
Rotatable Bonds: 32
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₉H₈₄N₁₆O₁₂
Molecular Weight:
1209.40
Synonyms:
(D-Leu7)-leuprolide
SMILES:
O=C([C@@H]1CCC(N1)=O)N[C@@H](CC2=CN=CN2)C(N[C@H](C(N[C@@H](CO)C(N[C@H](C(N[C@H](CC(C)C)C(N[C@H](CC(C)C)C(N[C@@H](CCCNC(N)=N)C(N3[C@@H](CCC3)C(NCC)=O)=O)=O)=O)=O)CC4=CC=C(C=C4)O)=O)=O)CC5=CNC6=CC=CC=C56)=O
Tpsa:
429.04
Logp:
-1.22843
H Acceptors:
14
H Donors:
16
Rotatable Bonds:
32
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄H₅N₅O
Molecular Weight: 139.12
Synonyms: 5-Diazenyl-1H-imidazole-4-carboxamide
SMILES: O=C(C1=C(N=N)NC=N1)N
Tpsa: 107.98
Logp: 0.17107
H Acceptors: 4
H Donors: 3
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:
C₄H₅N₅O
Molecular Weight:
139.12
Synonyms:
5-Diazenyl-1H-imidazole-4-carboxamide
SMILES:
O=C(C1=C(N=N)NC=N1)N
Tpsa:
107.98
Logp:
0.17107
H Acceptors:
4
H Donors:
3
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: C₆H₆N₆O
Molecular Weight: 178.15
Synonyms: 5-(4H-1,2,4-triazol-4-yl)-1H-pyrazole-4-carboxamide
SMILES: O=C(C1=CNN=C1N2C=NN=C2)N
Tpsa: 102.48
Logp: -0.9107
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:
C₆H₆N₆O
Molecular Weight:
178.15
Synonyms:
5-(4H-1,2,4-triazol-4-yl)-1H-pyrazole-4-carboxamide
SMILES:
O=C(C1=CNN=C1N2C=NN=C2)N
Tpsa:
102.48
Logp:
-0.9107
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
2