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Details

Stereochemistry ACHIRAL
Molecular Formula C24H27N3
Molecular Weight 357.4913
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Centphenaquin Free Base

SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C4CCCCCC4=NC5=CC=CC=C35

InChI

InChIKey=KVTMKACXBCKXRR-UHFFFAOYSA-N
InChI=1S/C24H27N3/c1-3-9-19(10-4-1)26-15-17-27(18-16-26)24-20-11-5-2-6-13-22(20)25-23-14-8-7-12-21(23)24/h1,3-4,7-10,12,14H,2,5-6,11,13,15-18H2

HIDE SMILES / InChI

Molecular Formula C24H27N3
Molecular Weight 357.4913
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 Fri Dec 15 19:12:17 GMT 2023
Edited
by admin
on Fri Dec 15 19:12:17 GMT 2023
Record UNII
SK93BGU8HY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Centphenaquin Free Base
Common Name English
6H-Cyclohepta[b]quinoline, 7,8,9,10-tetrahydro-11-(4-phenyl-1-piperazinyl)-
Systematic Name English
1-{6H,7H,8H,9H,10H-cyclohepta[b]quinolin-11-yl}-4-phenylpiperazine
Systematic Name English
11-(4-Phenylpiperazin-1-Yl)-7,8,9,10-Tetrahydro-6H-Cyclohepta[B]Quinoline
Systematic Name English
7,8,9,10-Tetrahydro-11-(4-phenyl-1-piperazinyl)-6H-cyclohepta[b]quinoline
Systematic Name English
Code System Code Type Description
CAS
28868-64-6
Created by admin on Fri Dec 15 19:12:17 GMT 2023 , Edited by admin on Fri Dec 15 19:12:17 GMT 2023
PRIMARY
FDA UNII
SK93BGU8HY
Created by admin on Fri Dec 15 19:12:17 GMT 2023 , Edited by admin on Fri Dec 15 19:12:17 GMT 2023
PRIMARY
PUBCHEM
57401
Created by admin on Fri Dec 15 19:12:17 GMT 2023 , Edited by admin on Fri Dec 15 19:12:17 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT