Monocrotaline

Catalog Number	ACM315220-1
CAS Number	315-22-0
Synonyms	(-)-Monocrotaline
IUPAC Name	(1R,4R,5R,6R,16R)-5,6-Dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
Molecular Weight	325.36
Molecular Formula	C16H23NO6
Canonical SMILES	CC1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C1(C)O)(C)O
InChI	InChI=1S/C16H23NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3/t9-,11+,12+,15+,16-/m0/s1
InChI Key	QVCMHGGNRFRMAD-XFGHUUIASA-N
Purity	98%+ (HPLC)
Storage	Store in dry, low temperature, sealed, 2-8 °C.
Complexity	575
Exact Mass	325.15253745
Heavy Atom Count	23
Isomeric SMILES	C[C@H]1C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]1(C)O)(C)O
Monoisotopic Mass	325.15253745
Topological Polar Surface Area	96.3Ų

Custom Q&A

What is the chemical formula of monocrotaline?

The chemical formula of monocrotaline is C16H23NO6.

What is the boiling point of monocrotaline?

The boiling point of monocrotaline is approximately 463.55°C.

What is the color of monocrotaline?

Monocrotaline is white in color.

How is monocrotaline soluble?

Monocrotaline is soluble in DMSO, ethanol, and organic solvents like chloroform.

What is the safety hazard code for monocrotaline?

The safety hazard code for monocrotaline is T.

What is the LD50 of monocrotaline in rats?

The LD50 of monocrotaline orally in rats is 71 mg/kg.

How is monocrotaline used in research?

Monocrotaline is used in a rat model to investigate human pulmonary hypertension.

What are the physical properties of monocrotaline?

Monocrotaline appears as white prism crystals and is soluble in various solvents.

What are the potential uses of monocrotaline?

Monocrotaline has been used for inducing pulmonary diseases in rats and has been studied for its anticancer and anti-choline effects.

What are some safety considerations regarding monocrotaline?

Monocrotaline is considered a suspected carcinogen and should be handled with caution due to its toxicity and potential side effects.

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