U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H26NO4.Na
Molecular Weight 403.4466
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NPC-15669 SODIUM

SMILES

[Na+].CC(C)C[C@H](NC(=O)OCC1C2=CC(C)=CC=C2C3=CC=C(C)C=C13)C([O-])=O

InChI

InChIKey=AVOJMBGIPJKANP-BOXHHOBZSA-M
InChI=1S/C23H27NO4.Na/c1-13(2)9-21(22(25)26)24-23(27)28-12-20-18-10-14(3)5-7-16(18)17-8-6-15(4)11-19(17)20;/h5-8,10-11,13,20-21H,9,12H2,1-4H3,(H,24,27)(H,25,26);/q;+1/p-1/t21-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
NPC-15669 SODIUM
Preferred Name English
Code System Code Type Description
FDA UNII
5L1JYH5OJ1
Created by admin on Mon Mar 31 18:07:07 GMT 2025 , Edited by admin on Mon Mar 31 18:07:07 GMT 2025
PRIMARY
PUBCHEM
134687082
Created by admin on Mon Mar 31 18:07:07 GMT 2025 , Edited by admin on Mon Mar 31 18:07:07 GMT 2025
PRIMARY