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Substance Name: Benzoic acid, 3,4,5-trimethoxy-, 2-ethyldecahydro-5-isoquinolyl ester, hydrobromide
RN: 4512-87-2
InChIKey: TWYKENCDQWRERH-UHFFFAOYSA-N
Classification Code
- Drug / Therapeutic Agent
Molecular Formula
- C21-H31-N-O5.Br-H
Molecular Weight
- 458.39
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Names and Synonyms
Synonyms
- 5-(3,4,5-Trimethoxybenzoyloxy)-2-ethyl-decahydroisoquinoline hydrobromide
- 5-Isoquinolinol, decahydro-2-ethyl-, 3,4,5-trimethoxybenzoate, hydrobromide
- Decahydro-2-ethyl-5-hydroxyisoquinoline, 3,4,5-trimethoxybenzoate, hydrobromide
Systematic Name
- Benzoic acid, 3,4,5-trimethoxy-, 2-ethyldecahydro-5-isoquinolyl ester, hydrobromide
Registry Numbers
CAS Registry Number
- 4512-87-2
System Generated Number
- 0004512872
Molecular Formulas
Molecular Formula
- C21-H31-N-O5.Br-H
Molecular Formula Fragments
- Br-H
- C21-H31-N-O5
- COMPONENT
Structure Descriptors
InChI
1S/C21H31NO5.BrH/c1-5-22-10-9-16-14(13-22)7-6-8-17(16)27-21(23)15-11-18(24-2)20(26-4)19(12-15)25-3;/h11-12,14,16-17H,5-10,13H2,1-4H3;1HInChIKey
TWYKENCDQWRERH-UHFFFAOYSA-NSmiles
C1[C@@H]2[C@@H](OC(c3cc(c(OC)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 79mg/kg (79mg/kg) | CARDIAC: OTHER CHANGES | Journal of Pharmacology and Experimental Therapeutics. Vol. 160, Pg. 22, 1968. |