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

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H29F2N3O2
Molecular Weight 453.5242
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Linustedastat

SMILES

C[C@]12CC[C@H]3[C@@H](CCC4=C(F)C=CC=C34)[C@@H]1[C@H](CCC(=O)NC5=NC=C(F)C=C5)C\C2=N/O

InChI

InChIKey=RMMVCLGAUPAFAI-MLXDORPZSA-N
InChI=1S/C26H29F2N3O2/c1-26-12-11-18-17-3-2-4-21(28)19(17)7-8-20(18)25(26)15(13-22(26)31-33)5-10-24(32)30-23-9-6-16(27)14-29-23/h2-4,6,9,14-15,18,20,25,33H,5,7-8,10-13H2,1H3,(H,29,30,32)/b31-22+/t15-,18-,20-,25+,26-/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H29F2N3O2
Molecular Weight 453.5242
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 14:35:21 GMT 2025
Edited
by admin
on Wed Apr 02 14:35:21 GMT 2025
Record UNII
PP3PLL7GZY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Linustedastat
INN  
Official Name English
LINUSTEDASTAT [USAN]
Preferred Name English
(15?,17E)-4-Fluoro-N-(5-fluoro-2-pyridinyl)-17-(hydroxyimino)estra-1,3,5(10)-triene-15-propanamide
Systematic Name English
3-[(17E)-4-fluoro-17-(hydroxyimino)estra-1,3,5(10)-trien-15?-yl]-N-(5-fluoropyridin-2-yl)propanamide
Systematic Name English
linustedastat [INN]
Common Name English
Estra-1,3,5(10)-triene-15-propanamide, 4-fluoro-N-(5-fluoro-2-pyridinyl)-17-(hydroxyimino)-, (15?,17E)-
Systematic Name English
Code System Code Type Description
FDA UNII
PP3PLL7GZY
Created by admin on Wed Apr 02 14:35:21 GMT 2025 , Edited by admin on Wed Apr 02 14:35:21 GMT 2025
PRIMARY
CAS
2254299-48-2
Created by admin on Wed Apr 02 14:35:21 GMT 2025 , Edited by admin on Wed Apr 02 14:35:21 GMT 2025
PRIMARY
NCI_THESAURUS
C206932
Created by admin on Wed Apr 02 14:35:21 GMT 2025 , Edited by admin on Wed Apr 02 14:35:21 GMT 2025
PRIMARY
INN
12995
Created by admin on Wed Apr 02 14:35:21 GMT 2025 , Edited by admin on Wed Apr 02 14:35:21 GMT 2025
PRIMARY
PUBCHEM
171390018
Created by admin on Wed Apr 02 14:35:21 GMT 2025 , Edited by admin on Wed Apr 02 14:35:21 GMT 2025
PRIMARY
SMS_ID
300000013265
Created by admin on Wed Apr 02 14:35:21 GMT 2025 , Edited by admin on Wed Apr 02 14:35:21 GMT 2025
PRIMARY
USAN
NO-41
Created by admin on Wed Apr 02 14:35:21 GMT 2025 , Edited by admin on Wed Apr 02 14:35:21 GMT 2025
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
PRECLINICAL
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ACTIVE MOIETY