CS-0531531
Pentane-1,5-diyl bis(3-(1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)propanoate) Atracurium Besylate Impurity
Manufacturer: ChemScene
CAS Number: 64228-77-9
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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
C₅₁H₆₆N₂O₁₂
Molecular Weight
899.08
Synonyms
1,5-pentanediyl bis[1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate]
SMILES
O=C(CCN1CCC2=CC(OC)=C(C=C2C1CC3=CC=C(C(OC)=C3)OC)OC)OCCCCCOC(CCN4CCC5=CC(OC)=C(C=C5C4CC6=CC=C(C(OC)=C6)OC)OC)=O
Tpsa
132.92
Logp
7.7763
H Acceptors
14
H Donors
0
Rotatable Bonds
24
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 64228-77-9 | 1,5-pentanediyl bis[1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate] | A2B Chem | -- |
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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-P271-P280-P302+P352-P304+P340-P305+P351+P338-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: C₅₁H₆₆N₂O₁₂
Molecular Weight: 899.08
Synonyms: 1,5-pentanediyl bis[1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate]
SMILES: O=C(CCN1CCC2=CC(OC)=C(C=C2C1CC3=CC=C(C(OC)=C3)OC)OC)OCCCCCOC(CCN4CCC5=CC(OC)=C(C=C5C4CC6=CC=C(C(OC)=C6)OC)OC)=O
Tpsa: 132.92
Logp: 7.7763
H Acceptors: 14
H Donors: 0
Rotatable Bonds: 24
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₁H₆₆N₂O₁₂
Molecular Weight:
899.08
Synonyms:
1,5-pentanediyl bis[1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate]
SMILES:
O=C(CCN1CCC2=CC(OC)=C(C=C2C1CC3=CC=C(C(OC)=C3)OC)OC)OCCCCCOC(CCN4CCC5=CC(OC)=C(C=C5C4CC6=CC=C(C(OC)=C6)OC)OC)=O
Tpsa:
132.92
Logp:
7.7763
H Acceptors:
14
H Donors:
0
Rotatable Bonds:
24
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₂₂ClNO₄
Molecular Weight: 375.85
Synonyms: Methyl 2-[4-[2-[(4-Chloro-benzoyl)amino]ethyl]phenoxy]-2-methylpropanoate
SMILES: O=C(C(C)(C)OC1=CC=C(CCNC(C2=CC=C(C=C2)Cl)=O)C=C1)OC
Tpsa: 64.63
Logp: 3.6429
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₂ClNO₄
Molecular Weight:
375.85
Synonyms:
Methyl 2-[4-[2-[(4-Chloro-benzoyl)amino]ethyl]phenoxy]-2-methylpropanoate
SMILES:
O=C(C(C)(C)OC1=CC=C(CCNC(C2=CC=C(C=C2)Cl)=O)C=C1)OC
Tpsa:
64.63
Logp:
3.6429
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₂₀ClNO₃
Molecular Weight: 285.77
Synonyms: Hydroxy chlorambucil
SMILES: O=C(CCCC1=CC=C(N(CCO)CCCl)C=C1)O
Tpsa: 60.77
Logp: 2.1314
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₂₀ClNO₃
Molecular Weight:
285.77
Synonyms:
Hydroxy chlorambucil
SMILES:
O=C(CCCC1=CC=C(N(CCO)CCCl)C=C1)O
Tpsa:
60.77
Logp:
2.1314
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₂₄ClNO₄
Molecular Weight: 389.87
Synonyms: Ethyl 2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-2-methylpropanoate
SMILES: O=C(C(C)(C)OC1=CC=C(CCNC(C2=CC=C(C=C2)Cl)=O)C=C1)OCC
Tpsa: 64.63
Logp: 4.033
H Acceptors: 4
H Donors: 1
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:
C₂₁H₂₄ClNO₄
Molecular Weight:
389.87
Synonyms:
Ethyl 2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-2-methylpropanoate
SMILES:
O=C(C(C)(C)OC1=CC=C(CCNC(C2=CC=C(C=C2)Cl)=O)C=C1)OCC
Tpsa:
64.63
Logp:
4.033
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
8