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Substance Name: Indole-3-carbaldehyde
RN: 487-89-8
UNII: 7FN04C32UO
InChIKey: OLNJUISKUQQNIM-UHFFFAOYSA-N
Note
- Metabolite of tryptophan.
Classification Code
- Drug / Therapeutic Agent
Molecular Formula
- C9-H7-N-O
Molecular Weight
- 145.1603
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- Indole-3-carbaldehyde
Synonyms
- 3-Formylindole
- 5-21-08-00246 (Beilstein Handbook Reference)
- AI3-52407
- beta-Indolylaldehyde
- BRN 0114117
- EINECS 207-665-8
- Indol-3-carboxaldehyde
- Indole-3-aldehyde
- Indole-3-carbaldehyde
- INDOLE-3-CARBOXYALDEHYDE
- NSC 10118
- UNII-7FN04C32UO
Systematic Names
- 1H-Indole-3-carboxaldehyde
- Indole-3-carbaldehyde
- Indole-3-carboxaldehyde
Registry Numbers
CAS Registry Number
- 487-89-8
FDA UNII
- 7FN04C32UO
Other Registry Number
- 246045-99-8
System Generated Number
- 0000487898
Structure Descriptors
InChI
InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10HInChIKey
OLNJUISKUQQNIM-UHFFFAOYSA-NSmiles
O=Cc1c[nH]c2ccccc12Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LDLo | intraperitoneal | 600mg/kg (600mg/kg) | AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)" BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: ANTICONVULSANT | Pharmaceutical Chemistry Journal Vol. 6, Pg. 33, 1972. |
Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
Melting Point | 196.5 | deg C | EXP | |
log P (octanol-water) | 1.68 | (none) | EXP | |
Water Solubility | 2930 | mg/L | 25 | EST |
Vapor Pressure | 4.30E-04 | mm Hg | 25 | EST |
Henry's Law Constant | 2.21E-09 | atm-m3/mole | 25 | EST |
Atmospheric OH Rate Constant | 7.27E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.