heliotrine-N-oxide, 6209-65-0

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CODE107998 CODE107998
Product(s):
6209-65-0 [(7S,8S)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate 95%

CAS Number:	6209-65-0	3D/inchi
FDA UNII:	Search
XlogP3-AA:	-0.50 (est)
Molecular Weight:	329.39339000
Formula:	C16 H27 N O6
NMR Predictor:	Predict (works with chrome, Edge or firefox)

Category:natural substances and extractives

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

Google Scholar:	Search
Google Books:	Search
Google Scholar: with word "volatile"	Search
Google Scholar: with word "flavor"	Search
Google Scholar: with word "odor"	Search
Google Patents:	Search
US Patents:	Search
EU Patents:	Search
Pubchem Patents:	Search
PubMed:	Search
NCBI:	Search

Physical Properties:

Assay:	95.00 to 100.00
Food Chemicals Codex Listed:	No
Soluble in:
	water, 1.655e+004 mg/L @ 25 °C (est)

Organoleptic Properties:

Odor and/or flavor descriptions from others (if found).

Cosmetic Information:

None found

Suppliers:

BOC Sciences

For experimental / research use only.

[(7S,8S)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate 95%

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:
intraperitoneal-rat LDLo 2500 mg/kg GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" KIDNEY, URETER, AND BLADDER: HEMATURIA GASTROINTESTINAL: OTHER CHANGES Journal of Pathology and Bacteriology. Vol. 75, Pg. 17, 1958.
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in Use Information:

Category:
natural substances and extractives
Recommendation for heliotrine-N-oxide usage levels up to:
	not for fragrance use.

Recommendation for heliotrine-N-oxide flavor usage levels up to:
	not for flavor use.

Safety References:

European Food Safety Authority (EFSA) reference(s):

Dietary exposure assessment to pyrrolizidine alkaloids in the European population
View page or View pdf

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA GENetic TOXicology:Search

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :22581

National Institute of Allergy and Infectious Diseases:Data

[(7S,8S)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate

Chemidplus:0006209650

References:

	[(7S,8S)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	22581
Pubchem (sid):	134987937

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):	Search
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View
Wikipedia:	View

Potential Blenders and core components note

None Found

Potential Uses:

None Found

Occurrence (nature, food, other):note

heliotrope european heliotrope
Search Trop Picture

Synonyms:

	butanoic acid, 2-hydroxy-3-methoxy-2-(1-methylethyl)-, [(1S,7aS)-2,3,5,7a-tetrahydro-1-hydroxy-4-oxido-1H-pyrrolizin-7-yl]methyl ester
	heliotrine N-oxide
	heliotrine, N-oxide
[(7S,8S)-7-	hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate

Articles:

PubMed:Pyrrolizidine alkaloids: their occurrence in Spanish honey collected from purple viper's bugloss (Echium spp.).

PubMed:Direct quantitative analysis of indicine-N-oxide in cancer patient samples by gas chromatography using the internal standard heliotrine-N-oxide including a mass spectral comparison of their trimethylsilyl derivatives.

PubMed:Relationship of the reductive metabolism of indicine N-oxide to its antitumor activity.

PubMed:The gas chromatographic mass spectrometric analysis of the new antitumor drug indicine-N-oxide utilizing a novel reaction accompanying trimethylsilylation.

Notes:

None found

heliotrine-N-oxide butanoic acid, 2-hydroxy-3-methoxy-2-(1-methylethyl)-, [(1S,7aS)-2,3,5,7a-tetrahydro-1-hydroxy-4-oxido-1H-pyrrolizin-7-yl]methyl ester

Supplier Sponsors

Articles:

heliotrine-N-oxide
butanoic acid, 2-hydroxy-3-methoxy-2-(1-methylethyl)-, [(1S,7aS)-2,3,5,7a-tetrahydro-1-hydroxy-4-oxido-1H-pyrrolizin-7-yl]methyl ester