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

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H26NO5.Na
Molecular Weight 443.4674
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DB-959 SODIUM

SMILES

[Na+].CCC1=C(CCOC2=CC=C3[C@H](CC([O-])=O)CCC3=C2)N=C(O1)C4=CC=C(OC)C=C4

InChI

InChIKey=ICCAFCVDQOALPN-FERBBOLQSA-M
InChI=1S/C25H27NO5.Na/c1-3-23-22(26-25(31-23)16-6-8-19(29-2)9-7-16)12-13-30-20-10-11-21-17(14-20)4-5-18(21)15-24(27)28;/h6-11,14,18H,3-5,12-13,15H2,1-2H3,(H,27,28);/q;+1/p-1/t18-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
DB-959 SODIUM
Code English
1H-INDENE-1-ACETIC ACID, 5-(2-(5-ETHYL-2-(4-METHOXYPHENYL)-4-OXAZOLYL)ETHOXY)-2,3-DIHYDRO-, SODIUM SALT (1:1), (1S)-
Systematic Name English
T3D-959 SODIUM SALT
Code English
DB-959 SODIUM SALT
Code English
Code System Code Type Description
FDA UNII
YZ6UUQ5JUZ
Created by admin on Fri Dec 15 19:47:53 GMT 2023 , Edited by admin on Fri Dec 15 19:47:53 GMT 2023
PRIMARY
PUBCHEM
49839871
Created by admin on Fri Dec 15 19:47:53 GMT 2023 , Edited by admin on Fri Dec 15 19:47:53 GMT 2023
PRIMARY
CAS
1258076-66-2
Created by admin on Fri Dec 15 19:47:53 GMT 2023 , Edited by admin on Fri Dec 15 19:47:53 GMT 2023
PRIMARY