CS-1001835
Regadenoson Impurity 5
Manufacturer: ChemScene
CAS Number: 1627202-38-3
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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
C₁₃H₁₅N₇O₄
Molecular Weight
333.30
Synonyms
None
SMILES
NC1=C2C(N(C=N2)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)=NC(=N1)N4C=CC=N4
Tpsa
157.36
Logp
-1.7943
H Acceptors
11
H Donors
4
Rotatable Bonds
3
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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: C₁₃H₁₅N₇O₄
Molecular Weight: 333.30
Synonyms: None
SMILES: NC1=C2C(N(C=N2)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)=NC(=N1)N4C=CC=N4
Tpsa: 157.36
Logp: -1.7943
H Acceptors: 11
H Donors: 4
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:
C₁₃H₁₅N₇O₄
Molecular Weight:
333.30
Synonyms:
None
SMILES:
NC1=C2C(N(C=N2)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)=NC(=N1)N4C=CC=N4
Tpsa:
157.36
Logp:
-1.7943
H Acceptors:
11
H Donors:
4
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: C₁₁H₁₄O₄
Molecular Weight: 210.23
Synonyms: None
SMILES: O=C(OC)C1=CC(O)=C(C(O)=C1)C(C)C
Tpsa: 66.76
Logp: 2.0078
H Acceptors: 4
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:
C₁₁H₁₄O₄
Molecular Weight:
210.23
Synonyms:
None
SMILES:
O=C(OC)C1=CC(O)=C(C(O)=C1)C(C)C
Tpsa:
66.76
Logp:
2.0078
H Acceptors:
4
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: C₁₆H₁₈N₂O₂
Molecular Weight: 270.33
Synonyms: None
SMILES: [C@@H](C(NCCC1=CC=C(N)C=C1)=O)(O)C2=CC=CC=C2
Tpsa: 75.35
Logp: 1.6611
H Acceptors: 3
H Donors: 3
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:
C₁₆H₁₈N₂O₂
Molecular Weight:
270.33
Synonyms:
None
SMILES:
[C@@H](C(NCCC1=CC=C(N)C=C1)=O)(O)C2=CC=CC=C2
Tpsa:
75.35
Logp:
1.6611
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
5
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₁ClF₃NO₂
Molecular Weight: 317.69
Synonyms: None
SMILES: O=C1OC(C#CCCC)(C2=CC(Cl)=CC=C2N1)C(F)(F)F
Tpsa: 38.33
Logp: 4.4632
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 1
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₁ClF₃NO₂
Molecular Weight:
317.69
Synonyms:
None
SMILES:
O=C1OC(C#CCCC)(C2=CC(Cl)=CC=C2N1)C(F)(F)F
Tpsa:
38.33
Logp:
4.4632
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1