CS-0609340
3-((Butyryloxy)methyl) 5-methyl 4-(2,4-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Clevidipine Impurity
Manufacturer: ChemScene
CAS Number: 2458150-58-6
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Purity
98%
MDL No
None
Storage
4°C
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₁H₂₃Cl₂NO₆
Molecular Weight
456.32
Synonyms
3,5-Pyridinedicarboxylic acid, 4-(2,4-dichlorophenyl)-1,4-dihydro-2,6-dimethyl-, 3-methyl 5-[(1-oxobutoxy)methyl] ester
SMILES
O=C(C1=C(C)NC(C)=C(C(OCOC(CCC)=O)=O)C1C2=CC=C(Cl)C=C2Cl)OC
Tpsa
90.93
Logp
4.2452
H Acceptors
7
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: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₂₃Cl₂NO₆
Molecular Weight: 456.32
Synonyms: 3,5-Pyridinedicarboxylic acid, 4-(2,4-dichlorophenyl)-1,4-dihydro-2,6-dimethyl-, 3-methyl 5-[(1-oxobutoxy)methyl] ester
SMILES: O=C(C1=C(C)NC(C)=C(C(OCOC(CCC)=O)=O)C1C2=CC=C(Cl)C=C2Cl)OC
Tpsa: 90.93
Logp: 4.2452
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₃Cl₂NO₆
Molecular Weight:
456.32
Synonyms:
3,5-Pyridinedicarboxylic acid, 4-(2,4-dichlorophenyl)-1,4-dihydro-2,6-dimethyl-, 3-methyl 5-[(1-oxobutoxy)methyl] ester
SMILES:
O=C(C1=C(C)NC(C)=C(C(OCOC(CCC)=O)=O)C1C2=CC=C(Cl)C=C2Cl)OC
Tpsa:
90.93
Logp:
4.2452
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: C₁₀H₈BrNO₂
Molecular Weight: 254.08
Synonyms: None
SMILES: O=C(O)CC(N1)=CC2=C1C(Br)=CC=C2
Tpsa: 53.09
Logp: 2.5575
H Acceptors: 1
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:
C₁₀H₈BrNO₂
Molecular Weight:
254.08
Synonyms:
None
SMILES:
O=C(O)CC(N1)=CC2=C1C(Br)=CC=C2
Tpsa:
53.09
Logp:
2.5575
H Acceptors:
1
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: C₆H₄N₂O₂S
Molecular Weight: 168.17
Synonyms: 4-Thiazolecarboxylic acid, 5-cyano-, methyl ester
SMILES: O=C(C1=C(C#N)SC=N1)OC
Tpsa: 62.98
Logp: 0.80138
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₄N₂O₂S
Molecular Weight:
168.17
Synonyms:
4-Thiazolecarboxylic acid, 5-cyano-, methyl ester
SMILES:
O=C(C1=C(C#N)SC=N1)OC
Tpsa:
62.98
Logp:
0.80138
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₄BrClN₂O
Molecular Weight: 259.49
Synonyms: None
SMILES: BrC1=NNC(C2=C1C=CC(Cl)=C2)=O
Tpsa: 45.75
Logp: 2.339
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₄BrClN₂O
Molecular Weight:
259.49
Synonyms:
None
SMILES:
BrC1=NNC(C2=C1C=CC(Cl)=C2)=O
Tpsa:
45.75
Logp:
2.339
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
0