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Details

Stereochemistry ACHIRAL
Molecular Formula C29H24NO3.Na
Molecular Weight 457.4955
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of YCT-529 Sodium

SMILES

[Na+].CC1=CC=C(C=C1)C2=CC(C)(C)OC3=CC=C(C=C23)C4=CC=C(N4)C5=CC=C(C=C5)C([O-])=O

InChI

InChIKey=NNFWFHLHNJSJTH-UHFFFAOYSA-M
InChI=1S/C29H25NO3.Na/c1-18-4-6-19(7-5-18)24-17-29(2,3)33-27-15-12-22(16-23(24)27)26-14-13-25(30-26)20-8-10-21(11-9-20)28(31)32;/h4-17,30H,1-3H3,(H,31,32);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C29H24NO3
Molecular Weight 434.5058
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:47:10 GMT 2025
Edited
by admin
on Wed Apr 02 19:47:10 GMT 2025
Record UNII
PJ4FJH5JBQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
YCT-529 Sodium
Code English
YCT-529 Sodium salt
Preferred Name English
YCT529 Sodium salt
Code English
Benzoic acid, 4-[5-[2,2-dimethyl-4-(4-methylphenyl)-2H-1-benzopyran-6-yl]-1H-pyrrol-2-yl]-, sodium salt (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
PJ4FJH5JBQ
Created by admin on Wed Apr 02 19:47:10 GMT 2025 , Edited by admin on Wed Apr 02 19:47:10 GMT 2025
PRIMARY
CAS
2863670-67-9
Created by admin on Wed Apr 02 19:47:10 GMT 2025 , Edited by admin on Wed Apr 02 19:47:10 GMT 2025
PRIMARY
PUBCHEM
166055298
Created by admin on Wed Apr 02 19:47:10 GMT 2025 , Edited by admin on Wed Apr 02 19:47:10 GMT 2025
PRIMARY
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PARENT -> SALT/SOLVATE
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ACTIVE MOIETY