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Details

Stereochemistry ACHIRAL
Molecular Formula C28H53N9O
Molecular Weight 531.7801
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-nitroso-plerixafor-2

SMILES

O=NN1CCCN(CC2=CC=C(CN3CCCNCCNCCCNCC3)C=C2)CCNCCCNCC1

InChI

InChIKey=KXILTBQYVSFTJD-UHFFFAOYSA-N
InChI=1S/C28H53N9O/c38-34-37-21-4-20-36(23-17-32-11-2-12-33-18-24-37)26-28-7-5-27(6-8-28)25-35-19-3-13-30-15-14-29-9-1-10-31-16-22-35/h5-8,29-33H,1-4,9-26H2

HIDE SMILES / InChI

Molecular Formula C28H53N9O
Molecular Weight 531.7801
Charge 0
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 18:40:28 GMT 2025
Edited
by admin
on Wed Apr 02 18:40:28 GMT 2025
Record UNII
J6BB3CE79K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-nitroso-plerixafor-2
Preferred Name English
Code System Code Type Description
PUBCHEM
171394972
Created by admin on Wed Apr 02 18:40:28 GMT 2025 , Edited by admin on Wed Apr 02 18:40:28 GMT 2025
PRIMARY
FDA UNII
J6BB3CE79K
Created by admin on Wed Apr 02 18:40:28 GMT 2025 , Edited by admin on Wed Apr 02 18:40:28 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY