1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4S,4aR,7aS,12bR)-4a-hydroxy-9-methoxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one

2.1.2 InChI

InChI=1S/C20H23NO4/c1-3-9-21-10-8-19-16-12-4-5-14(24-2)17(16)25-18(19)13(22)6-7-20(19,23)15(21)11-12/h3-5,15,18,23H,1,6-11H2,2H3/t15-,18+,19+,20-/m0/s1

2.1.3 InChI Key

SSVPTPGFVKXIRF-OBZTUIKSSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 131830-09-6

2. Schembl17284792

2.3 Create Date

2016-02-23

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₃NO₄
Molecular Weight	341.4 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	59
Heavy Atom Count	25
Formal Charge	0
Complexity	609
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Naloxone Methyl Ether

Naloxone Methyl Ether

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

1 Suppliers

1 End Use APIs

9 Related Intermediates

Filters