CS-0642179
3-Methyl-1-(5-oxohexyl)-3,9-dihydro-1H-purine-2,6-dione Pentoxifylline impurity
Manufacturer: ChemScene
CAS Number: 38975-46-1
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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
C₁₂H₁₆N₄O₃
Molecular Weight
264.28
Synonyms
None
SMILES
O=C(N1CCCCC(C)=O)N(C)C2=C(N=CN2)C1=O
Tpsa
89.75
Logp
0.1826
H Acceptors
6
H Donors
1
Rotatable Bonds
5
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: C₁₂H₁₆N₄O₃
Molecular Weight: 264.28
Synonyms: None
SMILES: O=C(N1CCCCC(C)=O)N(C)C2=C(N=CN2)C1=O
Tpsa: 89.75
Logp: 0.1826
H Acceptors: 6
H Donors: 1
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:
C₁₂H₁₆N₄O₃
Molecular Weight:
264.28
Synonyms:
None
SMILES:
O=C(N1CCCCC(C)=O)N(C)C2=C(N=CN2)C1=O
Tpsa:
89.75
Logp:
0.1826
H Acceptors:
6
H Donors:
1
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: C₁₂H₁₆N₄O₃
Molecular Weight: 264.28
Synonyms: None
SMILES: O=C1NC(N(C)C2=C1N(CCCCC(C)=O)C=N2)=O
Tpsa: 89.75
Logp: 0.1826
H Acceptors: 6
H Donors: 1
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:
C₁₂H₁₆N₄O₃
Molecular Weight:
264.28
Synonyms:
None
SMILES:
O=C1NC(N(C)C2=C1N(CCCCC(C)=O)C=N2)=O
Tpsa:
89.75
Logp:
0.1826
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₃BrN₄O₂
Molecular Weight: 301.14
Synonyms: None
SMILES: BrCCCN1C(N(C)C2=C(N(C)C=N2)C1=O)=O
Tpsa: 61.82
Logp: 0.2187
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₃BrN₄O₂
Molecular Weight:
301.14
Synonyms:
None
SMILES:
BrCCCN1C(N(C)C2=C(N(C)C=N2)C1=O)=O
Tpsa:
61.82
Logp:
0.2187
H Acceptors:
6
H Donors:
0
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: C₁₃H₂₀N₄O₄
Molecular Weight: 296.32
Synonyms: None
SMILES: CC1(O)CCCCN1C(N(C2=C(C(O)=O)N(C)C=N2)C)=O
Tpsa: 98.9
Logp: 0.8689
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:
C₁₃H₂₀N₄O₄
Molecular Weight:
296.32
Synonyms:
None
SMILES:
CC1(O)CCCCN1C(N(C2=C(C(O)=O)N(C)C=N2)C)=O
Tpsa:
98.9
Logp:
0.8689
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
2