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Substance Name: Benzeneethanaminium, 4-bromo-N-(3-butoxy-2-hydroxypropyl)-N,N-dimethyl-beta-oxo-, bromide
RN: 105996-48-3
InChIKey: QGTCIGWSUADFCO-UHFFFAOYSA-M
Classification Code
- Drug / Therapeutic Agent
Molecular Formula
- C17-H27-Br-N-O3.Br
Molecular Weight
- 453.2123
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Names and Synonyms
Synonym
- 4-Bromo-N-(3-butoxy-2-hydroxypropyl)-N,N-dimethyl-beta-oxobenzeneethanaminium bromide
Systematic Name
- Benzeneethanaminium, 4-bromo-N-(3-butoxy-2-hydroxypropyl)-N,N-dimethyl-beta-oxo-, bromide
Registry Numbers
CAS Registry Number
- 105996-48-3
System Generated Number
- 0105996483
Molecular Formulas
Molecular Formula
- C17-H27-Br-N-O3.Br
Molecular Formula Fragments
- Br
- C17-H27-Br-N-O3
- COMPONENT
Structure Descriptors
InChI
1S/C17H27BrNO3.BrH/c1-4-5-10-22-13-16(20)11-19(2,3)12-17(21)14-6-8-15(18)9-7-14;/h6-9,16,20H,4-5,10-13H2,1-3H3;1H/q+1;/p-1InChIKey
QGTCIGWSUADFCO-UHFFFAOYSA-MSmiles
CCCCOCC(C[N+](C)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 100mg/kg (100mg/kg) | Pharmaceutical Chemistry Journal Vol. 20, Pg. 323, 1986. |