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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H26N2O3
Molecular Weight 430.5232
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of WIN 55212-2 H-3

SMILES

[3H]C1=CC2=C(C=CC=C2C(=O)C3=C(C)N4[C@H](CN5CCOCC5)COC6=C4C3=CC=C6)C([3H])=C1

InChI

InChIKey=HQVHOQAKMCMIIM-TZNRZHCUSA-N
InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1/i3T,6T

HIDE SMILES / InChI

Molecular Formula C27H26N2O3
Molecular Weight 430.5232
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 20:11:35 UTC 2023
Edited
by admin
on Sat Dec 16 20:11:35 UTC 2023
Record UNII
R23DTW852D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
WIN 55212-2 H-3
Common Name English
WIN 55,212-2 [5,7-naphthyl-3H]
Common Name English
[(3R)-2,3-Dihydro-5-methyl-3-(4-morpholinylmethyl)pyrrolo[1,2,3-de]-1,4-benzoxazin-6-yl]-1-naphthalenyl-5,7-t2methanone
Systematic Name English
[3H]WIN 55212-2
Common Name English
Methanone, [(3R)-2,3-dihydro-5-methyl-3-(4-morpholinylmethyl)pyrrolo[1,2,3-de]-1,4-benzoxazin-6-yl]-1-naphthalenyl-5,7-t2-
Common Name English
Code System Code Type Description
PUBCHEM
10972049
Created by admin on Sat Dec 16 20:11:35 UTC 2023 , Edited by admin on Sat Dec 16 20:11:35 UTC 2023
PRIMARY
FDA UNII
R23DTW852D
Created by admin on Sat Dec 16 20:11:35 UTC 2023 , Edited by admin on Sat Dec 16 20:11:35 UTC 2023
PRIMARY
CAS
263903-88-4
Created by admin on Sat Dec 16 20:11:35 UTC 2023 , Edited by admin on Sat Dec 16 20:11:35 UTC 2023
PRIMARY
Related Record Type Details
TARGET->RADIOLIGAND
Kd
NON-LABELED -> LABELED