1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-[[3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl]oxy]-5-oxopentanoic acid

2.1.2 InChI

InChI=1S/C21H30N2O4/c1-14(2)23(15(3)4)12-11-16-13-22-17-7-5-8-18(21(16)17)27-20(26)10-6-9-19(24)25/h5,7-8,13-15,22H,6,9-12H2,1-4H3,(H,24,25)

2.1.3 InChI Key

LSDOIAGGRBGDJJ-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

J64JU3Z4Q2

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Luvesilocin [inn]

2. J64ju3z4q2

3. Chembl5425653

4. Schembl24168355

5. Schembl25425515

6. Iprocin Glutarate Monoester

7. Ft104

8. Re104

9. Ft-104

10. Re-104

11. 1-[3-[2-[bis(1-methylethyl)amino]ethyl]-1h-indol-4-yl] Pentanedioate

12. Pentanedioic Acid, 1-[3-[2-[bis(1-methylethyl)amino]ethyl]-1h-indol-4-yl] Ester

13. 2756001-39-3

2.4 Create Date

2022-02-06

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₃₀N₂O₄
Molecular Weight	374.5 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	11
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	82.6
Heavy Atom Count	27
Formal Charge	0
Complexity	487
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Luvesilocin