CS-0532839
(S,E)-2-(1-(((1-(3-(2-(7-Chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propyl)thio)methyl)cyclopropyl)acetic acid, sodium salt Mexiletine Impurity
Manufacturer: ChemScene
CAS Number: 190078-45-6
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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
C₃₅H₃₅ClNNaO₃S
Molecular Weight
608.17
Synonyms
Sodium {1-[({(1S)-1-{3-[(E)-2-(7-chloro-2-quinolinyl)vinyl]phenyl }-3-[2-(2-hydroxy-2-propanyl)phenyl]propyl}sulfanyl)methyl]cyclop ropyl}acetate
SMILES
CC(O)(C1=C(CC[C@H](SCC2(CC(O[Na])=O)CC2)C3=CC(/C=C/C4=NC5=C(C=C4)C=CC(Cl)=C5)=CC=C3)C=CC=C1)C
Tpsa
59.42
Logp
8.4901
H Acceptors
5
H Donors
1
Rotatable Bonds
12
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 190078-45-6 | Cyclopropaneacetic acid, 1-[[[(1S)-1-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]-, sodium salt (1:1) | A2B Chem | ₹ 21,817.80 - ₹ 1,29,195.60 |
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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: C₃₅H₃₅ClNNaO₃S
Molecular Weight: 608.17
Synonyms: Sodium {1-[({(1S)-1-{3-[(E)-2-(7-chloro-2-quinolinyl)vinyl]phenyl }-3-[2-(2-hydroxy-2-propanyl)phenyl]propyl}sulfanyl)methyl]cyclop ropyl}acetate
SMILES: CC(O)(C1=C(CC[C@H](SCC2(CC(O[Na])=O)CC2)C3=CC(/C=C/C4=NC5=C(C=C4)C=CC(Cl)=C5)=CC=C3)C=CC=C1)C
Tpsa: 59.42
Logp: 8.4901
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₅H₃₅ClNNaO₃S
Molecular Weight:
608.17
Synonyms:
Sodium {1-[({(1S)-1-{3-[(E)-2-(7-chloro-2-quinolinyl)vinyl]phenyl }-3-[2-(2-hydroxy-2-propanyl)phenyl]propyl}sulfanyl)methyl]cyclop ropyl}acetate
SMILES:
CC(O)(C1=C(CC[C@H](SCC2(CC(O[Na])=O)CC2)C3=CC(/C=C/C4=NC5=C(C=C4)C=CC(Cl)=C5)=CC=C3)C=CC=C1)C
Tpsa:
59.42
Logp:
8.4901
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
12
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₂₈N₄O₅
Molecular Weight: 428.48
Synonyms: 1-Hydroxy-5,8-bis(2-((2-hydroxyethyl)amino)ethylamino)-9,10-anthracenedione
SMILES: O=C1C2=C(C(C3=C1C(NCCNCCO)=CC=C3NCCNCCO)=O)C(O)=CC=C2
Tpsa: 142.95
Logp: 0.1552
H Acceptors: 9
H Donors: 7
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₈N₄O₅
Molecular Weight:
428.48
Synonyms:
1-Hydroxy-5,8-bis(2-((2-hydroxyethyl)amino)ethylamino)-9,10-anthracenedione
SMILES:
O=C1C2=C(C(C3=C1C(NCCNCCO)=CC=C3NCCNCCO)=O)C(O)=CC=C2
Tpsa:
142.95
Logp:
0.1552
H Acceptors:
9
H Donors:
7
Rotatable Bonds:
12
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₂₇ClN₄O₆
Molecular Weight: 478.93
Synonyms: Mitoxantrone EP Impurity D HCl
SMILES: O=C1C2=C(C(C3=C4NCCN(CCO)C4=CC(NCCNCCO)=C13)=O)C(O)=CC=C2O.Cl
Tpsa: 154.39
Logp: 0.513
H Acceptors: 10
H Donors: 7
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₇ClN₄O₆
Molecular Weight:
478.93
Synonyms:
Mitoxantrone EP Impurity D HCl
SMILES:
O=C1C2=C(C(C3=C4NCCN(CCO)C4=CC(NCCNCCO)=C13)=O)C(O)=CC=C2O.Cl
Tpsa:
154.39
Logp:
0.513
H Acceptors:
10
H Donors:
7
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₉ClO₆S
Molecular Weight: 340.74
Synonyms: 2-(4-Chloro-3-sulfobenzoyl)benzoic acid
SMILES: O=C(C1=C(C(C2=CC=C(C(S(=O)(O)=O)=C2)Cl)=O)C=CC=C1)O
Tpsa: 108.74
Logp: 2.5159
H Acceptors: 4
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:
C₁₄H₉ClO₆S
Molecular Weight:
340.74
Synonyms:
2-(4-Chloro-3-sulfobenzoyl)benzoic acid
SMILES:
O=C(C1=C(C(C2=CC=C(C(S(=O)(O)=O)=C2)Cl)=O)C=CC=C1)O
Tpsa:
108.74
Logp:
2.5159
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
4