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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H21F3N4O
Molecular Weight 390.4021
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BIIB-095

SMILES

CN1CC[C@@]2(CC[C@@H](N2)C3=NC(=CC(C)=N3)C4=CC=C(C=C4)C(F)(F)F)C1=O

InChI

InChIKey=GCZUIPVRHLYYOG-BEFAXECRSA-N
InChI=1S/C20H21F3N4O/c1-12-11-16(13-3-5-14(6-4-13)20(21,22)23)25-17(24-12)15-7-8-19(26-15)9-10-27(2)18(19)28/h3-6,11,15,26H,7-10H2,1-2H3/t15-,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H21F3N4O
Molecular Weight 390.4021
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:57:36 UTC 2023
Edited
by admin
on Sat Dec 16 19:57:36 UTC 2023
Record UNII
8M7EWM4FYE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BIIB-095
Code English
BIIB095
Code English
1,7-Diazaspiro[4.4]nonan-6-one, 7-methyl-2-[4-methyl-6-[4-(trifluoromethyl)phenyl]-2-pyrimidinyl]-, (2R,5S)-
Systematic Name English
(2R,5S)-7-Methyl-2-[4-methyl-6-[4-(trifluoromethyl)phenyl]-2-pyrimidinyl]-1,7-diazaspiro[4.4]nonan-6-one
Systematic Name English
Code System Code Type Description
FDA UNII
8M7EWM4FYE
Created by admin on Sat Dec 16 19:57:36 UTC 2023 , Edited by admin on Sat Dec 16 19:57:36 UTC 2023
PRIMARY
PUBCHEM
72188645
Created by admin on Sat Dec 16 19:57:36 UTC 2023 , Edited by admin on Sat Dec 16 19:57:36 UTC 2023
PRIMARY
CAS
1493790-64-9
Created by admin on Sat Dec 16 19:57:36 UTC 2023 , Edited by admin on Sat Dec 16 19:57:36 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY