CS-1004033
Regadenoson Impurity 55
Manufacturer: ChemScene
CAS Number: 50447-10-4
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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
C₁₂H₁₇N₅O₅
Molecular Weight
311.29
Synonyms
None
SMILES
O[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=C(OCC)N3)O[C@H](CO)[C@H]1O
Tpsa
148.77
Logp
-1.5813
H Acceptors
10
H Donors
4
Rotatable Bonds
4
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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: C₁₂H₁₇N₅O₅
Molecular Weight: 311.29
Synonyms: None
SMILES: O[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=C(OCC)N3)O[C@H](CO)[C@H]1O
Tpsa: 148.77
Logp: -1.5813
H Acceptors: 10
H Donors: 4
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₇N₅O₅
Molecular Weight:
311.29
Synonyms:
None
SMILES:
O[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=C(OCC)N3)O[C@H](CO)[C@H]1O
Tpsa:
148.77
Logp:
-1.5813
H Acceptors:
10
H Donors:
4
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₆O₄S
Molecular Weight: 186.19
Synonyms: None
SMILES: O=C(O)C(C(=O)O)C=1SC=CC1
Tpsa: 74.6
Logp: 1.0009
H Acceptors: 3
H Donors: 2
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:
C₇H₆O₄S
Molecular Weight:
186.19
Synonyms:
None
SMILES:
O=C(O)C(C(=O)O)C=1SC=CC1
Tpsa:
74.6
Logp:
1.0009
H Acceptors:
3
H Donors:
2
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: C₁₉H₁₈ClN₃O₄S₂
Molecular Weight: 451.95
Synonyms: None
SMILES: N(C(=O)C=1C(=NOC1C)C2=C(Cl)C=CC=C2)[C@H]3[C@@]4(N([C@@H](C(=O)S)C(C)(C)S4)C3=O)[H]
Tpsa: 92.51
Logp: 2.92052
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₁₈ClN₃O₄S₂
Molecular Weight:
451.95
Synonyms:
None
SMILES:
N(C(=O)C=1C(=NOC1C)C2=C(Cl)C=CC=C2)[C@H]3[C@@]4(N([C@@H](C(=O)S)C(C)(C)S4)C3=O)[H]
Tpsa:
92.51
Logp:
2.92052
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₃H₂₆O₄
Molecular Weight: 366.45
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3(C([C@]4(C)C(CC3)=CC(=O)C=C4)=CC1)[H])(CCC2=C(OC(C)=O)C=O)[H]
Tpsa: 60.44
Logp: 4.2305
H Acceptors: 4
H Donors: 0
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:
C₂₃H₂₆O₄
Molecular Weight:
366.45
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3(C([C@]4(C)C(CC3)=CC(=O)C=C4)=CC1)[H])(CCC2=C(OC(C)=O)C=O)[H]
Tpsa:
60.44
Logp:
4.2305
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2