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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H28N4O6
Molecular Weight 516.5451
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NOR-NALDEMEDINE

SMILES

CC(C)(NC(=O)C1=C(O)[C@@H]2OC3=C(O)C=CC4=C3[C@@]25CCN[C@H](C4)[C@]5(O)C1)C6=NC(=NO6)C7=CC=CC=C7

InChI

InChIKey=JLHFUCLMUZDKHH-GSANNGCGSA-N
InChI=1S/C28H28N4O6/c1-26(2,25-30-23(32-38-25)14-6-4-3-5-7-14)31-24(35)16-13-28(36)18-12-15-8-9-17(33)21-19(15)27(28,10-11-29-18)22(37-21)20(16)34/h3-9,18,22,29,33-34,36H,10-13H2,1-2H3,(H,31,35)/t18-,22+,27+,28-/m1/s1

HIDE SMILES / InChI

Molecular Formula C28H28N4O6
Molecular Weight 516.5451
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 13:08:18 GMT 2025
Edited
by admin
on Wed Apr 02 13:08:18 GMT 2025
Record UNII
DUK8PZ84YX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NOR-RSC-297995
Preferred Name English
NOR-NALDEMEDINE
Common Name English
RSC-297995-HHM3
Code English
NALDEMEDINE METABOLITE HHM3
Common Name English
(4R,4AS,7AR,12BS)-4A,7,9-TRIHYDROXY-N-(2-(3-PHENYL-1,2,4-OXADIAZOL-5-YL)PROPAN-2-YL)-2,3,4,4A,5,7A-HEXAHYDRO-1H-4,12-METHANOBENZOFURO(3,2-E)ISOQUINOLINE-6-CARBOXAMIDE
Systematic Name English
Code System Code Type Description
FDA UNII
DUK8PZ84YX
Created by admin on Wed Apr 02 13:08:18 GMT 2025 , Edited by admin on Wed Apr 02 13:08:18 GMT 2025
PRIMARY
PUBCHEM
155804781
Created by admin on Wed Apr 02 13:08:18 GMT 2025 , Edited by admin on Wed Apr 02 13:08:18 GMT 2025
PRIMARY PUBCHEM
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