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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H25F6N3O3
Molecular Weight 529.4747
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-nitroso-rolapitant

SMILES

C[C@@H](OC[C@]1(CC[C@]2(CCC(=O)N2)CN1N=O)C3=CC=CC=C3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChIKey=PQQBOHPIANQILB-ZGNKEGEESA-N
InChI=1S/C25H25F6N3O3/c1-16(17-11-19(24(26,27)28)13-20(12-17)25(29,30)31)37-15-23(18-5-3-2-4-6-18)10-9-22(14-34(23)33-36)8-7-21(35)32-22/h2-6,11-13,16H,7-10,14-15H2,1H3,(H,32,35)/t16-,22-,23-/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H25F6N3O3
Molecular Weight 529.4747
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 18:25:03 GMT 2025
Edited
by admin
on Wed Apr 02 18:25:03 GMT 2025
Record UNII
6369Q87DMS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-nitroso-rolapitant
Preferred Name English
Code System Code Type Description
PUBCHEM
171390052
Created by admin on Wed Apr 02 18:25:03 GMT 2025 , Edited by admin on Wed Apr 02 18:25:03 GMT 2025
PRIMARY
FDA UNII
6369Q87DMS
Created by admin on Wed Apr 02 18:25:03 GMT 2025 , Edited by admin on Wed Apr 02 18:25:03 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
PARENT -> IMPURITY