Echimidine

Catalog Number	ACM520683
CAS Number	520-68-3
IUPAC Name	[(7R,8R)-7-[(Z)-2-Methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2R)-2,3-dihydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate
Molecular Weight	397.47
Molecular Formula	C20H31NO7
Canonical SMILES	CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C(C(C)O)(C(C)(C)O)O
InChI	InChI=1S/C20H31NO7/c1-6-12(2)17(23)28-15-8-10-21-9-7-14(16(15)21)11-27-18(24)20(26,13(3)22)19(4,5)25/h6-7,13,15-16,22,25-26H,8-11H2,1-5H3/b12-6-/t13-,15+,16+,20-/m0/s1
InChI Key	HRSGCYGUWHGOPY-LYHHMGRNSA-N
Purity	98%+ (HPLC)
Storage	Store in dry, low temperature, sealed, 2-8 °C.
Complexity	684
Exact Mass	397.21005233
Heavy Atom Count	28
Isomeric SMILES	C/C=C(/C)\C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@H](C)O)(C(C)(C)O)O
Monoisotopic Mass	397.21005233
Topological Polar Surface Area	117Ų

Custom Q&A

What is the product name of the chemical compound with CAS number 520-68-3?

The product name is ECHIMIDINE.

What are some synonyms for ECHIMIDINE?

Some synonyms for ECHIMIDINE include 7-Angelyl-9-echimidinylretronecine and L-threo-Pentitol.

What is the molecular formula of ECHIMIDINE?

The molecular formula is C20H31NO7.

What is the molecular weight of ECHIMIDINE?

The molecular weight is 397.46 g/mol.

What is the melting point of ECHIMIDINE?

The melting point is greater than 133°C (dec.).

What is the boiling point of ECHIMIDINE estimated to be?

The estimated boiling point is 520.9°C.

Where is ECHIMIDINE commonly found?

ECHIMIDINE is found to be present in comfrey.

How is ECHIMIDINE described in terms of its color?

It is described as light beige in color.

What are the potential hazards associated with ECHIMIDINE?

ECHIMIDINE is classified as a hazardous substance, with a hazardous class of 6.1(b) and a packing group III.

What is the main usage of ECHIMIDINE?

ECHIMIDINE is a hepatotoxic pyrrolizidine alkaloid known to induce genotoxicity and carcinogenicity.

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