CS-1002843
Prucalopride Impurity 59
Manufacturer: ChemScene
CAS Number: 2245785-75-3
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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
C₃₀H₄₆ClN₃O₁₃
Molecular Weight
692.15
Synonyms
None
SMILES
N(C1(CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O1)C3=C4C(=C(C(NC5CCN(CCCOC)CC5)=O)C=C3Cl)OCC4
Tpsa
232.13
Logp
-2.4568
H Acceptors
15
H Donors
9
Rotatable Bonds
13
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: C₃₀H₄₆ClN₃O₁₃
Molecular Weight: 692.15
Synonyms: None
SMILES: N(C1(CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O1)C3=C4C(=C(C(NC5CCN(CCCOC)CC5)=O)C=C3Cl)OCC4
Tpsa: 232.13
Logp: -2.4568
H Acceptors: 15
H Donors: 9
Rotatable Bonds: 13
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₀H₄₆ClN₃O₁₃
Molecular Weight:
692.15
Synonyms:
None
SMILES:
N(C1(CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O1)C3=C4C(=C(C(NC5CCN(CCCOC)CC5)=O)C=C3Cl)OCC4
Tpsa:
232.13
Logp:
-2.4568
H Acceptors:
15
H Donors:
9
Rotatable Bonds:
13
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₈F₂O
Molecular Weight: 170.16
Synonyms: None
SMILES: C(=C\CO)\C1=CC(F)=C(F)C=C1
Tpsa: 20.23
Logp: 1.9703
H Acceptors: 1
H Donors: 1
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:
C₉H₈F₂O
Molecular Weight:
170.16
Synonyms:
None
SMILES:
C(=C\CO)\C1=CC(F)=C(F)C=C1
Tpsa:
20.23
Logp:
1.9703
H Acceptors:
1
H Donors:
1
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: C₁₁H₁₇NO₄S
Molecular Weight: 259.32
Synonyms: None
SMILES: C([C@H](CSC(C)=O)C)(=O)N1[C@@H](C(O)=O)CCC1
Tpsa: 74.68
Logp: 0.9778
H Acceptors: 4
H Donors: 1
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:
C₁₁H₁₇NO₄S
Molecular Weight:
259.32
Synonyms:
None
SMILES:
C([C@H](CSC(C)=O)C)(=O)N1[C@@H](C(O)=O)CCC1
Tpsa:
74.68
Logp:
0.9778
H Acceptors:
4
H Donors:
1
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: C₁₃H₁₉Cl₃N₂
Molecular Weight: 309.66
Synonyms: None
SMILES: Cl.ClC=1C=CC=CC1N2CCN(CC2)CCCCl
Tpsa: 6.48
Logp: 3.5127
H Acceptors: 2
H Donors: 0
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:
C₁₃H₁₉Cl₃N₂
Molecular Weight:
309.66
Synonyms:
None
SMILES:
Cl.ClC=1C=CC=CC1N2CCN(CC2)CCCCl
Tpsa:
6.48
Logp:
3.5127
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
4