ChemicalBook--->CAS DataBase List--->312-45-8

312-45-8

312-45-8 Structure

312-45-8 Structure
IdentificationBack Directory
[Name]

HEMICHOLINIUM-3
[CAS]

312-45-8
[Synonyms]

hc-3
Dibromide
hemicholine
hemicholiniumbromide
hemicholiniumdibromide
hemicholinium-3bromide
hemicholinium-3dibromide
2,2'-(4,4'-biphenylene)bis(2-hydroxy-4,4-dimethylmorpholinium) dibromide
2,2’-(4,4’-biphenylylene)bis(2-hydroxy-4,4-dimethyl-morpholiniudibromide
2,2’-(1,1’-biphenyl)-4,4’-diylbis(2-hydroxy-4,4-dimethyl-morpholinium)dibrom
2-[4-[4-(2-hydroxy-4,4-dimethylmorpholin-4-ium-2-yl)phenyl]phenyl]-4,4-dimethylmorpholin-4-ium-2-ol dibromide
2-[4-[4-(2-hydroxy-4,4-dimethyl-morpholin-4-ium-2-yl)phenyl]phenyl]-4,4-dimethyl-morpholin-4-ium-2-ol dibromide
HACU,Choline,receptor,system,Hemicholinium dibromide,Inhibitor,transporter,ACh,Nicotinic,Hemicholinium 3,Hemicholinium3,inhibit,nervous,Enteric,neuromuscular,acetylcholine,Cholinesterase (ChE)
[EINECS(EC#)]

206-227-3
[Molecular Formula]

C24H34N2O4.2Br
[MDL Number]

MFCD00011978
[MOL File]

312-45-8.mol
[Molecular Weight]

574.351
Chemical PropertiesBack Directory
[Melting point ]

180°; mp 226- 228° (dec)
[storage temp. ]

Store at -20°C
[solubility ]

ethanol: 1.3 mg/mL
[form ]

solid
[color ]

white
[Water Solubility ]

Water : 33.33 mg/mL (58.03 mM; Need ultrasonic)
[Merck ]

13,4660
[BRN ]

5704458
[InChI]

1S/C24H34N2O4.2BrH/c1-25(2)13-15-29-23(27,17-25)21-9-5-19(6-10-21)20-7-11-22(12-8-20)24(28)18-26(3,4)14-16-30-24;;/h5-12,27-28H,13-18H2,1-4H3;2*1H/q+2;;/p-2
[InChIKey]

OPYKHUMNFAMIBL-UHFFFAOYSA-L
[SMILES]

[Br-].[Br-].C[N+]1(C)CCOC(O)(C1)c2ccc(cc2)-c3ccc(cc3)C4(O)C[N+](C)(C)CCO4
[EPA Substance Registry System]

Morpholinium, 2,2'-[1,1'-biphenyl]-4,4'-diylbis[2-hydroxy-4,4-dimethyl-, dibromide (312-45-8)
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

23/24/25-36/37/38
[Safety Statements ]

26-36/37/39-45
[RIDADR ]

UN 2811 6.1/PG 2
[WGK Germany ]

3
[RTECS ]

QF2450000
[TSCA ]

TSCA listed
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[Storage Class]

6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
[Hazard Classifications]

Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
[Toxicity]

LD50 i.p. in female mice: 0.048-0.082 mg/kg (DiAugustine, Haarstad)
Hazard InformationBack Directory
[Uses]

Acetylcholine stores depletor
[Uses]

Research tool as cholinergic probe, to deplete acetylcholine stores.
[Biochem/physiol Actions]

Hemicholinium-3 plays a role in blocking the neuronal choline uptake thereby inhibiting acetylcholine synthesis in the brain.
[in vivo]

Hemicholinium-3 impairs spatial learning. Hemicholinium-3 (2.5, 5.0 μg/rat/ICV; 1 h before training) dose dependently impairs spatial learning[5].

Spectrum DetailBack Directory
[Spectrum Detail]

HEMICHOLINIUM-3(312-45-8)1HNMR
HEMICHOLINIUM-3(312-45-8)13CNMR
HEMICHOLINIUM-3(312-45-8)IR1
HEMICHOLINIUM-3(312-45-8)IR2
HEMICHOLINIUM-3(312-45-8)Raman
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