nigellidine
 
Notes:
None found
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CAS Number: 120993-86-4Picture of molecule3D/inchi
Nikkaji Web: J1.922.300K
XlogP3-AA: 3.20 (est)
Molecular Weight: 294.35386000
Formula: C18 H18 N2 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: natural substances and extractives
 
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Soluble in:
 water, 67.26 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
 None found
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Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: natural substances and extractives
Recommendation for nigellidine usage levels up to:
 not for fragrance use.
 
Recommendation for nigellidine flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 101253695
National Institute of Allergy and Infectious Diseases: Data
 4-(1-hydroxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-11-ylidene)cyclohexa-2,5-dien-1-one
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References:
 4-(1-hydroxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-11-ylidene)cyclohexa-2,5-dien-1-one
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 101253695
Pubchem (cas): 120993-86-4
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
HMDB (The Human Metabolome Database): HMDB41061
FooDB: FDB020935
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 nigella sativa seed
Search Trop  Picture
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Synonyms:
4-(1-hydroxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-11-ylidene)cyclohexa-2,5-dien-1-one
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Articles:
PubMed: A Review on the Cosmeceutical and External Applications ofNigella sativa.
PubMed: Gastrointestinal effects of Nigella sativa and its main constituent, thymoquinone: a review.
PubMed: [Study on chemical constituents of Nigella glandulifera].
PubMed: A Robust Protocol for Pd(II)-catalyzed C-3 Arylation of (1H) Indazoles and Pyrazoles: Total Synthesis of Nigellidine Hydrobromide.
PubMed: Distribution of primary and specialized metabolites in Nigella sativa seeds, a spice with vast traditional and historical uses.
PubMed: Anticancer activity of Nigella sativa (black seed) - a review.
PubMed: Nigellidine-4-O-sulfite, the first sulfated indazole-type alkaloid from the seeds of Nigella sativa.
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