CS-0533300
(1R,2R)-2-(2-Carboxyethyl)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium benzenesulfonate Cisatracurium Impurity
Manufacturer: ChemScene
CAS Number: 1075727-06-8
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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
C₃₀H₃₇NO₉S
Molecular Weight
587.68
Synonyms
(1R,2R)-2-(2-Carboxyethyl)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium benzenesulfonate
SMILES
O=S([O-])(C1=CC=CC=C1)=O.COC(C=C(CC[N@+]2(C)CCC(O)=O)C([C@H]2CC3=CC(OC)=C(C=C3)OC)=C4)=C4OC
Tpsa
131.42
Logp
4.0729
H Acceptors
8
H Donors
1
Rotatable Bonds
10
SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
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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: C₃₀H₃₇NO₉S
Molecular Weight: 587.68
Synonyms: (1R,2R)-2-(2-Carboxyethyl)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium benzenesulfonate
SMILES: O=S([O-])(C1=CC=CC=C1)=O.COC(C=C(CC[N@+]2(C)CCC(O)=O)C([C@H]2CC3=CC(OC)=C(C=C3)OC)=C4)=C4OC
Tpsa: 131.42
Logp: 4.0729
H Acceptors: 8
H Donors: 1
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₀H₃₇NO₉S
Molecular Weight:
587.68
Synonyms:
(1R,2R)-2-(2-Carboxyethyl)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium benzenesulfonate
SMILES:
O=S([O-])(C1=CC=CC=C1)=O.COC(C=C(CC[N@+]2(C)CCC(O)=O)C([C@H]2CC3=CC(OC)=C(C=C3)OC)=C4)=C4OC
Tpsa:
131.42
Logp:
4.0729
H Acceptors:
8
H Donors:
1
Rotatable Bonds:
10
Purity: 98%
MDL No: MFCD29918780
Storage: 4°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅₀H₇₂N₂O₇
Molecular Weight: 813.12
Synonyms: Salmeterol?EP Impurity G/ Salmeterol N-Alkyl Impurity (Salmeterol Dimer Impurity)
SMILES: OC1=CC=C(C(CN(CCCCCCOCCCCC2=CC=CC=C2)CC3=CC=C(C(CNCCCCCCOCCCCC4=CC=CC=C4)O)C=C3O)O)C=C1CO
Tpsa: 134.88
Logp: 8.9485
H Acceptors: 9
H Donors: 6
Rotatable Bonds: 33
Purity:
98%
MDL No:
MFCD29918780
Storage:
4°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₀H₇₂N₂O₇
Molecular Weight:
813.12
Synonyms:
Salmeterol?EP Impurity G/ Salmeterol N-Alkyl Impurity (Salmeterol Dimer Impurity)
SMILES:
OC1=CC=C(C(CN(CCCCCCOCCCCC2=CC=CC=C2)CC3=CC=C(C(CNCCCCCCOCCCCC4=CC=CC=C4)O)C=C3O)O)C=C1CO
Tpsa:
134.88
Logp:
8.9485
H Acceptors:
9
H Donors:
6
Rotatable Bonds:
33
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₇ClF₅N₅O
Molecular Weight: 425.78
Synonyms: Sitagliptin EP Impurity B HCl
SMILES: FC(F)(C1=NN=C2N1CCN(C(C[C@H](N)CC3=C(C=CC(F)=C3)F)=O)C2)F.Cl
Tpsa: 77.04
Logp: 2.2992
H Acceptors: 5
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:
C₁₆H₁₇ClF₅N₅O
Molecular Weight:
425.78
Synonyms:
Sitagliptin EP Impurity B HCl
SMILES:
FC(F)(C1=NN=C2N1CCN(C(C[C@H](N)CC3=C(C=CC(F)=C3)F)=O)C2)F.Cl
Tpsa:
77.04
Logp:
2.2992
H Acceptors:
5
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: C₂₇H₃₇FO₆
Molecular Weight: 476.58
Synonyms: Dexamethasone valerate
SMILES: C[C@@]12[C@@](C(CO)=O)([C@@H](C[C@@]1([H])[C@@]3([H])[C@]([C@H](C2)O)([C@@]4(C(CC3)=CC(C=C4)=O)C)F)C)OC(CCCC)=O
Tpsa: 100.9
Logp: 3.6368
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₇H₃₇FO₆
Molecular Weight:
476.58
Synonyms:
Dexamethasone valerate
SMILES:
C[C@@]12[C@@](C(CO)=O)([C@@H](C[C@@]1([H])[C@@]3([H])[C@]([C@H](C2)O)([C@@]4(C(CC3)=CC(C=C4)=O)C)F)C)OC(CCCC)=O
Tpsa:
100.9
Logp:
3.6368
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
6