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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H30N2O
Molecular Weight 350.4971
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TAK-218 FREE BASE

SMILES

CC1=C(C)C(N)=C(C)C2=C1O[C@H](CN3CCC(CC3)C4=CC=CC=C4)C2

InChI

InChIKey=FZGIFVXXZBRMFW-FQEVSTJZSA-N
InChI=1S/C23H30N2O/c1-15-16(2)23-21(17(3)22(15)24)13-20(26-23)14-25-11-9-19(10-12-25)18-7-5-4-6-8-18/h4-8,19-20H,9-14,24H2,1-3H3/t20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H30N2O
Molecular Weight 350.4971
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:58:29 GMT 2023
Edited
by admin
on Sat Dec 16 13:58:29 GMT 2023
Record UNII
H04R7MU2DE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TAK-218 FREE BASE
Code English
5-BENZOFURANAMINE, 2,3-DIHYDRO-2,4,6,7-TETRAMETHYL-2-((4-PHENYL-1-PIPERIDINYL)METHYL)-, (2S)-
Systematic Name English
(2S)-2,3-DIHYDRO-2,4,6,7-TETRAMETHYL-2-((4-PHENYL-1-PIPERIDINYL)METHYL)-5-BENZOFURANAMINE
Systematic Name English
Code System Code Type Description
FDA UNII
H04R7MU2DE
Created by admin on Sat Dec 16 13:58:29 GMT 2023 , Edited by admin on Sat Dec 16 13:58:29 GMT 2023
PRIMARY
PUBCHEM
131801067
Created by admin on Sat Dec 16 13:58:29 GMT 2023 , Edited by admin on Sat Dec 16 13:58:29 GMT 2023
PRIMARY
CAS
156756-06-8
Created by admin on Sat Dec 16 13:58:29 GMT 2023 , Edited by admin on Sat Dec 16 13:58:29 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT