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

Details

Stereochemistry ABSOLUTE
Molecular Formula C13H18Cl2N2O3
Molecular Weight 321.2
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PX-478 FREE BASE

SMILES

N[C@@H](CC1=CC=C(C=C1)[N+]([O-])(CCCl)CCCl)C(O)=O

InChI

InChIKey=GSKQMLGAUOTSKT-LBPRGKRZSA-N
InChI=1S/C13H18Cl2N2O3/c14-5-7-17(20,8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/t12-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
PX-478 FREE BASE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C274
Created by admin on Sat Dec 16 03:11:29 UTC 2023 , Edited by admin on Sat Dec 16 03:11:29 UTC 2023
Code System Code Type Description
PUBCHEM
11234795
Created by admin on Sat Dec 16 03:11:29 UTC 2023 , Edited by admin on Sat Dec 16 03:11:29 UTC 2023
PRIMARY
FDA UNII
55OBY93SEP
Created by admin on Sat Dec 16 03:11:29 UTC 2023 , Edited by admin on Sat Dec 16 03:11:29 UTC 2023
PRIMARY
CAS
685847-78-3
Created by admin on Sat Dec 16 03:11:29 UTC 2023 , Edited by admin on Sat Dec 16 03:11:29 UTC 2023
PRIMARY
EPA CompTox
DTXSID40218687
Created by admin on Sat Dec 16 03:11:29 UTC 2023 , Edited by admin on Sat Dec 16 03:11:29 UTC 2023
PRIMARY
NCI_THESAURUS
C137838
Created by admin on Sat Dec 16 03:11:29 UTC 2023 , Edited by admin on Sat Dec 16 03:11:29 UTC 2023
PRIMARY