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Substance Name: 1(2H)-Pyridineethanol, 3,6-dihydro-4-(3-indolyl)- oxalate (2:1)
RN: 109793-68-2
InChIKey: NFCGCECDXZVAQN-UHFFFAOYSA-N
Classification Code
- Drug / Therapeutic Agent
Molecular Formula
- C30-H36-N4-O2.C2-H2-O4
Molecular Weight
- 574.6742
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Names and Synonyms
Synonyms
- 1(2H)-Pyridineethanol, 3,6-dihydro-4-(1H-indol-3-yl)-, ethanedioate (2:1) (salt)
- 4-(3-Indolyl)-3,6-dihydro-1(2H)-pyridineethanol oxalate (2:1)
Systematic Name
- 1(2H)-Pyridineethanol, 3,6-dihydro-4-(3-indolyl)- oxalate (2:1)
Registry Numbers
CAS Registry Number
- 109793-68-2
System Generated Number
- 0109793682
Molecular Formulas
Molecular Formula
- C30-H36-N4-O2.C2-H2-O4
Molecular Formula Fragments
- C2-H2-O4
- C30-H36-N4-O2
- COMPONENT
Structure Descriptors
InChI
1S/2C15H18N2O.C2H2O4/c2*18-10-9-17-7-5-12(6-8-17)14-11-16-15-4-2-1-3-13(14)15;3-1(4)2(5)6/h2*1-5,11,16,18H,6-10H2;(H,3,4)(H,5,6)InChIKey
NFCGCECDXZVAQN-UHFFFAOYSA-NSmiles
c1ccc2c(c1)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 300mg/kg (300mg/kg) | European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 22, Pg. 33, 1987. |