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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H19N3.2BrH
Molecular Weight 391.145
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IHCH-7113 Dihydrobromide

SMILES

Br.Br.CN1CCN2[C@H]3CCNC[C@H]3C4=CC=CC1=C24

InChI

InChIKey=LJVFVFPGIHGVKP-AQEKLAMFSA-N
InChI=1S/C14H19N3.2BrH/c1-16-7-8-17-12-5-6-15-9-11(12)10-3-2-4-13(16)14(10)17;;/h2-4,11-12,15H,5-9H2,1H3;2*1H/t11-,12-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula C14H19N3
Molecular Weight 229.3208
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula BrH
Molecular Weight 80.912
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 Wed Apr 02 17:52:05 GMT 2025
Edited
by admin
on Wed Apr 02 17:52:05 GMT 2025
Record UNII
889SLW98JY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(10R,15S)-4-Methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene;dihydrobromide
Preferred Name English
IHCH-7113 Dihydrobromide
Code English
(6bR,10aS)-2,3,6b,7,8,9,10,10a-Octahydro-3-methyl-1H-pyrido[3?,4?:4,5]pyrrolo[1,2,3-de]quinoxaline dihydrobromide
Systematic Name English
Code System Code Type Description
CAS
2994258-57-8
Created by admin on Wed Apr 02 17:52:05 GMT 2025 , Edited by admin on Wed Apr 02 17:52:05 GMT 2025
PRIMARY
FDA UNII
889SLW98JY
Created by admin on Wed Apr 02 17:52:05 GMT 2025 , Edited by admin on Wed Apr 02 17:52:05 GMT 2025
PRIMARY
PUBCHEM
170172598
Created by admin on Wed Apr 02 17:52:05 GMT 2025 , Edited by admin on Wed Apr 02 17:52:05 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE