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Substance Name: Nicotinic acid, pentamethylene ester
RN: 101952-68-5
InChIKey: QXAAJEOJGGACLR-UHFFFAOYSA-N
Classification Code
- Drug / Therapeutic Agent
Molecular Formula
- C17-H18-N2-O4
Molecular Weight
- 314.339
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Names and Synonyms
Synonyms
- 4-22-00-00373 (Beilstein Handbook Reference)
- BRN 0290622
- Pentamethylene nicotinate
Systematic Name
- Nicotinic acid, pentamethylene ester
Registry Numbers
CAS Registry Number
- 101952-68-5
System Generated Number
- 0101952685
Structure Descriptors
InChI
1S/C17H18N2O4/c20-16(14-6-4-8-18-12-14)22-10-2-1-3-11-23-17(21)15-7-5-9-19-13-15/h4-9,12-13H,1-3,10-11H2InChIKey
QXAAJEOJGGACLR-UHFFFAOYSA-NSmiles
c1(C(OCCCCCOC(c2cccnc2)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 500mg/kg (500mg/kg) | Pharmazie. Vol. 11, Pg. 242, 1956. |