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Details

Stereochemistry ACHIRAL
Molecular Formula C30H32F6N4O2
Molecular Weight 594.5911
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RO-0731519

SMILES

CN(C(=O)C(C)(C)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C2=CN=C(C=C2C3=CC=CC=C3CO)N4CCN(C)CC4

InChI

InChIKey=CUGOZHKFGSQBGD-UHFFFAOYSA-N
InChI=1S/C30H32F6N4O2/c1-28(2,20-13-21(29(31,32)33)15-22(14-20)30(34,35)36)27(42)39(4)25-17-37-26(40-11-9-38(3)10-12-40)16-24(25)23-8-6-5-7-19(23)18-41/h5-8,13-17,41H,9-12,18H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C30H32F6N4O2
Molecular Weight 594.5911
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 06:34:25 UTC 2019
Edited
by admin
on Tue Oct 22 06:34:25 UTC 2019
Record UNII
V5Y2A6BA23
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RO-0731519
Code English
NETUPITANT METABOLITE M3
Common Name English
N-(4-(2-(HYDROXYMETHYL)PHENYL)-6-(4-METHYL-1-PIPERAZINYL)-3-PYRIDINYL)-N,.ALPHA.,.ALPHA.-TRIMETHYL-3,5-BIS(TRIFLUOROMETHYL)BENZENEACETAMIDE
Systematic Name English
MONOHYDROXY NETUPITANT
Common Name English
BENZENEACETAMIDE, N-(4-(2-(HYDROXYMETHYL)PHENYL)-6-(4-METHYL-1-PIPERAZINYL)-3-PYRIDINYL)-N,.ALPHA.,.ALPHA.-TRIMETHYL-3,5-BIS(TRIFLUOROMETHYL)-
Systematic Name English
Related Record Type Details
PARENT -> METABOLITE ACTIVE
of parent exposure
MAJOR
AUC