Retronecine

Catalog Number	ACM480853
CAS Number	480-85-3
Synonyms	(1R)-2,3,5,7aβ-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol
Molecular Weight	155.19
InChI	InChI=1S/C8H13NO2/c10-5-6-1-3-9-4-2-7(11)8(6)9/h1,7-8,10-11H,2-5H2/t7-,8-/m1/s1
InChI Key	HJSJELVDQOXCHO-HTQZYQBOSA-N
Melting Point	119-120 °C
Purity	95%+
Complexity	191
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Exact Mass	155.094628657
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isomeric SMILES	C1CN2CC=C([C@@H]2[C@@H]1O)CO
Monoisotopic Mass	155.094628657
PhysicalState	Powder
Rotatable Bond Count	1
Topological Polar Surface Area	43.7 Ų

Custom Q&A

What is the chemical formula of retronecine?

The chemical formula of retronecine is C8H13NO2.

What is the molecular weight of retronecine?

The molecular weight of retronecine is 155.19 g/mol.

What is the melting point of retronecine?

The melting point of retronecine is 119-120°C.

What is the primary use of retronecine?

Retronecine is a Pyrrolizidine alkaloid (PA) that is hepatotoxic and tumorigenic.

In what solvents is retronecine slightly soluble?

Retronecine is slightly soluble in ethanol and methanol.

What is the hazardous classification of retronecine?

Retronecine is classified as HazardClass 6.1(b) and has a PackingGroup III.

What is the ChEBI definition of retronecine?

Retronecine is defined as a member of pyrrolizines.

What is the predicted pka of retronecine?

The predicted pka of retronecine is 14.48±0.40.

What is the toxicity of retronecine in mice when administered intravenously?

The LD50 of retronecine in mice when administered intravenously is 634.0 ±26.0 mg/kg.

What are some synonyms for retronecine?

Some synonyms for retronecine include Retronecin, (1R,7aR)-2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, and (1R,7aR)-7-(Hydroxymethyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-ol.

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