Racemodine

Catalog Number	ACM147554287
CAS Number	147554-28-7
Synonyms	2-Butenoic acid, 2-[(3-hydroxy-3-methyl-1-oxobutoxy)methyl]-, [hexahydro-7-[(2-methyl-1-oxo-2-butenyl)oxy]-1H-pyrrolizin-1-yl]methyl ester, [1S-[1α(Z),7α(Z),7aβ]]- (9CI)
Molecular Weight	437.5
InChI	InChI=1S/C23H35NO7/c1-6-15(3)21(26)31-18-9-11-24-10-8-17(20(18)24)14-30-22(27)16(7-2)13-29-19(25)12-23(4,5)28/h6-7,17-18,20,28H,8-14H2,1-5H3/b15-6-,16-7-/t17-,18-,20-/m1/s1
InChI Key	IFOJBJYZVQYKHB-HEWCMQNGSA-N
Purity	95%+
Complexity	740
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Exact Mass	437.24135246
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isomeric SMILES	C/C=C(/C)\C(=O)O[C@@H]1CCN2[C@@H]1[C@H](CC2)COC(=O)/C(=C\C)/COC(=O)CC(C)(C)O
Monoisotopic Mass	437.24135246
PhysicalState	Powder
Rotatable Bond Count	12
Topological Polar Surface Area	102 Ų

Custom Q&A

What is the chemical formula for Racemodine?

The chemical formula for Racemodine is C23H35NO7.

What is the molecular weight of Racemodine?

The molecular weight of Racemodine is 437.53 g/mol.

What is the CAS number for Racemodine?

The CAS number for Racemodine is 147554-28-7.

What are some synonyms for Racemodine?

Some synonyms for Racemodine are 2-Butenoic acid and [hexahydro-7-[(2-methyl-1-oxo-2-butenyl)oxy]-1H-pyrrolizin-1-yl]methyl ester.

What is the predicted boiling point of Racemodine?

The predicted boiling point of Racemodine is 547.7±45.0 °C.

What is the predicted density of Racemodine?

The predicted density of Racemodine is 1.18±0.1 g/cm3.

What is the predicted pka value of Racemodine?

The predicted pka value of Racemodine is 14.39±0.29.

How is Racemodine synthesized?

Racemodine is synthesized by reacting 2-Butenoic acid with [hexahydro-7-[(2-methyl-1-oxo-2-butenyl)oxy]-1H-pyrrolizin-1-yl]methyl ester.

What is the molecular structure of Racemodine?

The molecular structure of Racemodine consists of a hexahydro-7-[(2-methyl-1-oxo-2-butenyl)oxy]-1H-pyrrolizin-1-yl]methyl ester.

What are some potential uses of Racemodine?

Racemodine may have potential uses in pharmaceuticals or as a research chemical in studying certain biological processes.

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