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Details

Stereochemistry RACEMIC
Molecular Formula C27H38N6O2
Molecular Weight 486.6621
Optical Activity ( + / - )
Defined Stereocenters 0 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AFDX-384 H-3

SMILES

[3H]CC([3H])CN(CC([3H])C[3H])CC1CCCCN1CCNC(=O)N2C3=NC=CC=C3NC(=O)C4=C2C=CC=C4

InChI

InChIKey=MZDYABXXPZNUCT-ZBHCNTRJSA-N
InChI=1S/C27H38N6O2/c1-3-16-31(17-4-2)20-21-10-7-8-18-32(21)19-15-29-27(35)33-24-13-6-5-11-22(24)26(34)30-23-12-9-14-28-25(23)33/h5-6,9,11-14,21H,3-4,7-8,10,15-20H2,1-2H3,(H,29,35)(H,30,34)/i1T,2T,3T,4T

HIDE SMILES / InChI

Molecular Formula C27H38N6O2
Molecular Weight 486.6621
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:05:07 UTC 2023
Edited
by admin
on Sat Dec 16 08:05:07 UTC 2023
Record UNII
AC2L92BZ4Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AFDX-384 H-3
Code English
AF-DX-384 H-3
Code English
AF-DX 384, [2,3-Dipropylamino-3H]-
Common Name English
[3H]AF-DX 384
Code English
11H-Pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide, N-[2-[(2R)-2-[(2,3-dipropylamino-3H)methyl]-1-piperidinyl]ethyl]-5,6-dihydro-6-oxo-
Systematic Name English
BIBN-161 H-3
Code English
Code System Code Type Description
EPA CompTox
DTXSID60922653
Created by admin on Sat Dec 16 08:05:07 UTC 2023 , Edited by admin on Sat Dec 16 08:05:07 UTC 2023
PRIMARY
PUBCHEM
119356
Created by admin on Sat Dec 16 08:05:07 UTC 2023 , Edited by admin on Sat Dec 16 08:05:07 UTC 2023
PRIMARY
WIKIPEDIA
AFDX-384
Created by admin on Sat Dec 16 08:05:07 UTC 2023 , Edited by admin on Sat Dec 16 08:05:07 UTC 2023
PRIMARY
FDA UNII
AC2L92BZ4Y
Created by admin on Sat Dec 16 08:05:07 UTC 2023 , Edited by admin on Sat Dec 16 08:05:07 UTC 2023
PRIMARY
Related Record Type Details
TARGET->RADIOLIGAND
Kd
NON-LABELED -> LABELED