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Details

Stereochemistry ACHIRAL
Molecular Formula C13H16N2
Molecular Weight 200.2795
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PNU-22394

SMILES

CN1C2=C(CCNCC2)C3=C1C=CC=C3

InChI

InChIKey=ZBXDOQWPGBISAR-UHFFFAOYSA-N
InChI=1S/C13H16N2/c1-15-12-5-3-2-4-10(12)11-6-8-14-9-7-13(11)15/h2-5,14H,6-9H2,1H3

HIDE SMILES / InChI

Molecular Formula C13H16N2
Molecular Weight 200.2795
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:55:21 UTC 2023
Edited
by admin
on Sat Dec 16 18:55:21 UTC 2023
Record UNII
J7HPJ854EA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PNU-22394
Code English
1,2,3,4,5,6-HEXAHYDRO-6-METHYLAZEPINO(4,5-B)INDOLE
Systematic Name English
AZEPINO(4,5-B)INDOLE, 1,2,3,4,5,6-HEXAHYDRO-6-METHYL-
Systematic Name English
Code System Code Type Description
PUBCHEM
27559
Created by admin on Sat Dec 16 18:55:22 UTC 2023 , Edited by admin on Sat Dec 16 18:55:22 UTC 2023
PRIMARY
EPA CompTox
DTXSID001028489
Created by admin on Sat Dec 16 18:55:22 UTC 2023 , Edited by admin on Sat Dec 16 18:55:22 UTC 2023
PRIMARY
WIKIPEDIA
PNU-22394
Created by admin on Sat Dec 16 18:55:22 UTC 2023 , Edited by admin on Sat Dec 16 18:55:22 UTC 2023
PRIMARY
FDA UNII
J7HPJ854EA
Created by admin on Sat Dec 16 18:55:22 UTC 2023 , Edited by admin on Sat Dec 16 18:55:22 UTC 2023
PRIMARY
CAS
15923-78-1
Created by admin on Sat Dec 16 18:55:22 UTC 2023 , Edited by admin on Sat Dec 16 18:55:22 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
TARGET->PARTIAL AGONIST
TARGET->PARTIAL AGONIST
SALT/SOLVATE -> PARENT
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ACTIVE MOIETY