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Morpholinium, 2,2′-[1,1′-biphenyl]-4,4′-diylbis[2-hydroxy-4,4-dimethyl-, bromide (1:2)

Morpholinium, 2,2′-[1,1′-biphenyl]-4,4′-diylbis[2-hydroxy-4,4-dimethyl-, bromide (1:2) structure

CAS No:
312-45-8
Formula:
C24H34N2O4.2Br
Chemical Name:
Morpholinium, 2,2′-[1,1′-biphenyl]-4,4′-diylbis[2-hydroxy-4,4-dimethyl-, bromide (1:2)
Synonyms:
Morpholinium,2,2′-[1,1′-biphenyl]-4,4′-diylbis[2-hydroxy-4,4-dimethyl-,bromide (1:2);Morpholinium,2,2′-(4,4′-biphenylylene)bis[2-hydroxy-4,4-dimethyl-,dibromide;Morpholinium,2,2′-[1,1′-biphenyl]-4,4′-diylbis[2-hydroxy-4,4-dimethyl-,dibromide;2,2′-(4,4′-Biphenylylene)bis[2-hydroxy-4,4-dimethylmorpholinium bromide];Morpholinium compounds,2,2′-(4,4′-biphenylylene)bis[2-hydroxy-4,4-dimethyl- bromide];Hemicholinium 3;Hemicholinium bromide;HC 3;Hemicholine;Hemicholinium-3 bromide;Hemicholinium dibromide;Hemicholinium 3 dibromide;NSC 527583
Categories:
Organic Chemistry > Amides

Description

A potent inhibitor of the high affinity uptake system for CHOLINE. It has less effect on the low affinity uptake system. Since choline is one of the components of ACETYLCHOLINE, treatment with hemicholinium can deplete acetylcholine from cholinergic terminals. Hemicholinium 3 is commonly used as a research tool in animal and in vitro experiments.

Morpholinium, 2,2′-[1,1′-biphenyl]-4,4′-diylbis[2-hydroxy-4,4-dimethyl-, bromide (1:2) Basic Attributes

Molecular Weight：

574.34600

Exact Mass：

572.08900

EC Number：

206-227-3

UNII：

65NY3I7ZD0

Characteristics

PSA：

58.92000

Melting Point：

180 °C

Toxicity：

LD50 i.p. in female mice: 0.048-0.082 mg/kg (DiAugustine, Haarstad)

Collision Cross Section：

221.7 Å² [M]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

UN 2811 6.1/PG 2

wgk germany：

hazard class code：

23/24/25-36/37/38

safety instructions：

S26;S45;S36/S37/S39

RTECS Number：

QF2450000

Marks：

T: Toxic;

Precautionary statement(s)：

P261-P280-P301 + P310-P305 + P351 + P338-P311

Hazard Statements：

H301 + H311 + H331-H315-H319-H335

Drug Information

MeSH：

Any drug used for its actions on cholinergic systems. Included here are agonists and antagonists, drugs that affect the life cycle of ACETYLCHOLINE, and drugs that affect the survival of cholinergic neurons. The term cholinergic agents is sometimes still used in the narrower sense of MUSCARINIC AGONISTS, although most modern texts discourage that usage. (See all compounds classified as Cholinergic Agents.)|Drugs that inhibit the transport of neurotransmitters into axon terminals or into storage vesicles within terminals. For many transmitters, uptake determines the time course of transmitter action so inhibiting uptake prolongs the activity of the transmitter. Blocking uptake may also deplete available transmitter stores. Many clinically important drugs are uptake inhibitors although the indirect reactions of the brain rather than the acute block of uptake itself is often responsible for the therapeutic effects. (See all compounds classified as Neurotransmitter Uptake Inhibitors.)

MeSH Entry Terms：

Hemicholinium

Morpholinium, 2,2′-[1,1′-biphenyl]-4,4′-diylbis[2-hydroxy-4,4-dimethyl-, bromide (1:2) Use and Manufacturing

Uses

Acetylcholine stores depletor Research tool as cholinergic probe, to deplete acetylcholine stores.

Manufacturing Info：

Morpholinium, 2,2'-[1,1'-biphenyl]-4,4'-diylbis[2-hydroxy-4,4-dimethyl-, bromide (1:2): INACTIVE

Computed Properties

Molecular Weight:574.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:574.08648
Monoisotopic Mass:572.08853
Topological Polar Surface Area:58.9
Heavy Atom Count:32
Complexity:544
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

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HEMICHOLINIUM-3

CAS No.: 312-45-8

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Guide of Morpholinium, 2,2′-[1,1′-biphenyl]-4,4′-diylbis[2-hydroxy-4,4-dimethyl-, bromide (1:2)

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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