(1S,2S,4S,5R)-1-benzyl-2-((R)-(benzyloxy)(quinolin-4-yl)methyl)-5-vinylquinuclidin-1-ium bromide

Name: (1S,2S,4S,5R)-1-benzyl-2-((R)-(benzyloxy)(quinolin-4-yl)methyl)-5-vinylquinuclidin-1-ium bromide
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CAS No. 158195-39-2
Cat. No. CS-0513092
Purity≥98%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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(1S,2S,4S,5R)-1-benzyl-2-((R)-(benzyloxy)(quinolin-4-yl)methyl)-5-vinylquinuclidin-1-ium bromide|CS-0513092

Structure of 158195-39-2

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General Information
Safety Information
Quality Control
Computational Chemistry Data

General Information

CAS No. 158195-39-2
Cat. No. CS-0513092
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₃₃H₃₅BrN₂O
Molecular Weight 555.55
Synonym(s) None
SMILES C=C[C@@H](C[N@+]1(CC2=CC=CC=C2)CC3)[C@@H]3C[C@H]1[C@H](OCC4=CC=CC=C4)C5=CC=NC6=CC=CC=C56.[Br-]

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

TPSA 22.12
LogP 4.1081
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 8

Other Classifications

Building Blocks Functional Group Olefins

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Building Blocks Skeleton Bridge Rings compounds Quinine Ring compounds

Building Blocks Skeleton Aromatic heterocycle compounds quinoline compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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(1S,2S,4S,5R)-1-benzyl-2-((R)-(benzyloxy)(quinolin-4-yl)methyl)-5-vinylquinuclidin-1-ium bromide

CAS No. 158195-39-2