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Substance Name: Pyrocatechol, 4-(2-(N,N-diphenethylamino)ethyl)-, oxalate (2:1)
RN: 70045-18-0
InChIKey: BBAWAKWAACUTCE-UHFFFAOYSA-N
Classification Code
- Drug / Therapeutic Agent
Molecular Formula
- C48-H54-N2-O4.C2-H4-O4
Molecular Weight
- 812.9984
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Names and Synonyms
Synonym
- 4-(2-(N,N-Diphenethylamino)ethyl)pyrocatechol oxalate (2:1)
Systematic Name
- Pyrocatechol, 4-(2-(N,N-diphenethylamino)ethyl)-, oxalate (2:1)
Registry Numbers
CAS Registry Number
- 70045-18-0
System Generated Number
- 0070045180
Molecular Formulas
Molecular Formula
- C48-H54-N2-O4.C2-H4-O4
Molecular Formula Fragments
- C2-H4-O4
- C48-H54-N2-O4
- COMPONENT
Structure Descriptors
InChI
1S/2C24H27NO2.C2H2O4/c2*26-23-12-11-22(19-24(23)27)15-18-25(16-13-20-7-3-1-4-8-20)17-14-21-9-5-2-6-10-21;3-1(4)2(5)6/h2*1-12,19,26-27H,13-18H2;(H,3,4)(H,5,6)InChIKey
BBAWAKWAACUTCE-UHFFFAOYSA-NSmiles
c1ccc(cc1)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 200mg/kg (200mg/kg) | European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 13, Pg. 553, 1978. |