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

Details

Stereochemistry ABSOLUTE
Molecular Formula C13H9N3O6
Molecular Weight 303.2271
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-NITROTHALIDOMIDE, (R)-

SMILES

[O-][N+](=O)C1=C2C(=O)N([C@@H]3CCC(=O)NC3=O)C(=O)C2=CC=C1

InChI

InChIKey=KVRCAGKHAZRSQX-MRVPVSSYSA-N
InChI=1S/C13H9N3O6/c17-9-5-4-8(11(18)14-9)15-12(19)6-2-1-3-7(16(21)22)10(6)13(15)20/h1-3,8H,4-5H2,(H,14,17,18)/t8-/m1/s1

HIDE SMILES / InChI

Molecular Formula C13H9N3O6
Molecular Weight 303.2271
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:34:26 GMT 2023
Edited
by admin
on Sat Dec 16 12:34:26 GMT 2023
Record UNII
TN7ZD8G7YS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-NITROTHALIDOMIDE, (R)-
Common Name English
4-NITROTHALIDOMIDE, (+)-
Common Name English
2-((3R)-2,6-DIOXO-3-PIPERIDINYL)-4-NITRO-1H-ISOINDOLE-1,3(2H)-DIONE
Systematic Name English
1H-ISOINDOLE-1,3(2H)-DIONE, 2-((3R)-2,6-DIOXO-3-PIPERIDINYL)-4-NITRO-
Systematic Name English
Code System Code Type Description
FDA UNII
TN7ZD8G7YS
Created by admin on Sat Dec 16 12:34:27 GMT 2023 , Edited by admin on Sat Dec 16 12:34:27 GMT 2023
PRIMARY
CAS
202271-81-6
Created by admin on Sat Dec 16 12:34:27 GMT 2023 , Edited by admin on Sat Dec 16 12:34:27 GMT 2023
PRIMARY
PUBCHEM
20581734
Created by admin on Sat Dec 16 12:34:27 GMT 2023 , Edited by admin on Sat Dec 16 12:34:27 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER