U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
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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-1

SMILES

O=NN1CCCNCCNCCCN(CC2=CC=C(CN3CCCNCCNCCCNCC3)C=C2)CC1

InChI

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

HIDE SMILES / InChI

Molecular Formula C28H53N9O
Molecular Weight 531.7801
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
SH3W2SKM9H
Record Status Validated (UNII)
Record Version