CS-1000292
Regadenoson Impurity 72
Manufacturer: ChemScene
CAS Number: 1055911-34-6
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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
C₁₈H₂₃N₇O₆
Molecular Weight
433.42
Synonyms
None
SMILES
N(CC)C1=C2C(N(C=N2)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)=NC(=N1)N4C=C(C(OCC)=O)C=N4
Tpsa
169.67
Logp
-0.768
H Acceptors
13
H Donors
4
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: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₂₃N₇O₆
Molecular Weight: 433.42
Synonyms: None
SMILES: N(CC)C1=C2C(N(C=N2)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)=NC(=N1)N4C=C(C(OCC)=O)C=N4
Tpsa: 169.67
Logp: -0.768
H Acceptors: 13
H Donors: 4
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:
C₁₈H₂₃N₇O₆
Molecular Weight:
433.42
Synonyms:
None
SMILES:
N(CC)C1=C2C(N(C=N2)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)=NC(=N1)N4C=C(C(OCC)=O)C=N4
Tpsa:
169.67
Logp:
-0.768
H Acceptors:
13
H Donors:
4
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: C₁₆H₁₉FO₄
Molecular Weight: 294.32
Synonyms: None
SMILES: O=C(OC(=O)C(C)(C)C)CCCC(=O)C1=CC=C(F)C=C1
Tpsa: 60.44
Logp: 3.2946
H Acceptors: 4
H Donors: 0
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:
C₁₆H₁₉FO₄
Molecular Weight:
294.32
Synonyms:
None
SMILES:
O=C(OC(=O)C(C)(C)C)CCCC(=O)C1=CC=C(F)C=C1
Tpsa:
60.44
Logp:
3.2946
H Acceptors:
4
H Donors:
0
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: C₂₇H₃₅F₂NO₆S
Molecular Weight: 539.63
Synonyms: None
SMILES: C(SC(N(C)C)=O)(=O)[C@]1(OC(CC)=O)[C@]2(C)[C@@](C[C@H]1C)([C@]3([C@](F)([C@@H](O)C2)[C@]4(C)C([C@@H](F)C3)=CC(=O)C=C4)[H])[H]
Tpsa: 100.98
Logp: 4.1846
H Acceptors: 7
H Donors: 1
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:
C₂₇H₃₅F₂NO₆S
Molecular Weight:
539.63
Synonyms:
None
SMILES:
C(SC(N(C)C)=O)(=O)[C@]1(OC(CC)=O)[C@]2(C)[C@@](C[C@H]1C)([C@]3([C@](F)([C@@H](O)C2)[C@]4(C)C([C@@H](F)C3)=CC(=O)C=C4)[H])[H]
Tpsa:
100.98
Logp:
4.1846
H Acceptors:
7
H Donors:
1
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: C₁₆H₁₄O₅
Molecular Weight: 286.28
Synonyms: None
SMILES: O=C(O)C(OC(=O)C(O)C=1C=CC=CC1)C=2C=CC=CC2
Tpsa: 83.83
Logp: 2.0891
H Acceptors: 4
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:
C₁₆H₁₄O₅
Molecular Weight:
286.28
Synonyms:
None
SMILES:
O=C(O)C(OC(=O)C(O)C=1C=CC=CC1)C=2C=CC=CC2
Tpsa:
83.83
Logp:
2.0891
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
5