3-[2-(Dimethylamino)ethyl]-4-indolyl Acetate Fumarate - CAS 1217230-42-6

Catalog:	BB005247
Product Name:	3-[2-(Dimethylamino)ethyl]-4-indolyl Acetate Fumarate
CAS:	1217230-42-6
Synonyms:	acetic acid [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] ester;(E)-2-butenedioic acid; (E)-but-2-enedioic acid;[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] acetate

Technical Data

IUPAC Name:	(E)-but-2-enedioic acid;[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] acetate
Description:	3-[2-(Dimethylamino)ethyl]-4-indolyl Acetate Fumarate (CAS# 1217230-42-6) is readily crystallized as the fumarate salt, and is considerably more stable than Psilocin (P839630) itself. It would seem to be an ideal prodrug to replace Psilocybin in future clinical studies, since Psilocin is the principal metabolite of Psilocibin.Controlled substance (hallucinogen).
Molecular Weight:	362.38
Molecular Formula:	C18H22N2O6
Canonical SMILES:	CC(=O)OC1=CC=CC2=C1C(=CN2)CCN(C)C.C(=CC(=O)O)C(=O)O
InChI:	InChI=1S/C14H18N2O2.C4H4O4/c1-10(17)18-13-6-4-5-12-14(13)11(9-15-12)7-8-16(2)3;5-3(6)1-2-4(7)8/h4-6,9,15H,7-8H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChI Key:	QIJLOAPCCJQEEZ-WLHGVMLRSA-N
LogP:	1.90910

Complexity:	413
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	362.14778643
Formal Charge:	0
Heavy Atom Count:	26
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	362.14778643
Rotatable Bond Count:	7
Topological Polar Surface Area:	120
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0