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Substance Name: 1-alpha-H,5-alpha-H-Tropanium, 8-(p-butylbenzyl)-3-alpha-hydroxy-, bromide, (+-)-tropate
RN: 101636-41-3
InChIKey: QUELHIJHNMCCDX-UHFFFAOYSA-M
Classification Code
- Drug / Therapeutic Agent
Molecular Formula
- C28-H38-N-O3.Br
Molecular Weight
- 516.5162
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Names and Synonyms
Synonyms
- 8-(p-Butylbenzyl)atropinium bromide
- Atropinium, 8-(p-butylbenzyl)-, bromide
- N-682
Systematic Name
- 1-alpha-H,5-alpha-H-Tropanium, 8-(p-butylbenzyl)-3-alpha-hydroxy-, bromide, (+-)-tropate
Registry Numbers
CAS Registry Number
- 101636-41-3
System Generated Number
- 0101636413
Molecular Formulas
Molecular Formula
- C28-H38-N-O3.Br
Molecular Formula Fragments
- Br
- C28-H38-N-O3
- COMPONENT
Structure Descriptors
InChI
1S/C28H38NO3.BrH/c1-3-4-8-21-11-13-22(14-12-21)19-29(2)24-15-16-25(29)18-26(17-24)32-28(31)27(20-30)23-9-6-5-7-10-23;/h5-7,9-14,24-27,30H,3-4,8,15-20H2,1-2H3;1H/q+1;/p-1InChIKey
QUELHIJHNMCCDX-UHFFFAOYSA-MSmiles
CCCCc1ccc(cc1)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 60mg/kg (60mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 144, Pg. 404, 1963. |