U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C19H21NO3.BrH
Molecular Weight 392.287
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4H-DIBENZO(DE,G)QUINOLINE-2,10,11-TRIOL, 5,6,6A,7-TETRAHYDRO-6-PROPYL-, HYDROBROMIDE

SMILES

Br.CCCN1CCC2=C3C1CC4=CC=C(O)C(O)=C4C3=CC(O)=C2

InChI

InChIKey=KIAIFHTWTMKEDI-UHFFFAOYSA-N
InChI=1S/C19H21NO3.BrH/c1-2-6-20-7-5-12-8-13(21)10-14-17(12)15(20)9-11-3-4-16(22)19(23)18(11)14;/h3-4,8,10,15,21-23H,2,5-7,9H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula C19H21NO3
Molecular Weight 311.3749
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

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 Sat Dec 16 19:05:04 GMT 2023
Edited
by admin
on Sat Dec 16 19:05:04 GMT 2023
Record UNII
X24JVA4SAX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4H-DIBENZO(DE,G)QUINOLINE-2,10,11-TRIOL, 5,6,6A,7-TETRAHYDRO-6-PROPYL-, HYDROBROMIDE
Systematic Name English
4H-DIBENZO(DE,G)QUINOLINE-2,10,11-TRIOL, 5,6,6A,7-TETRAHYDRO-6-PROPYL-, HYDROBROMIDE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
173603
Created by admin on Sat Dec 16 19:05:04 GMT 2023 , Edited by admin on Sat Dec 16 19:05:04 GMT 2023
PRIMARY PUBCHEM
CAS
77761-73-0
Created by admin on Sat Dec 16 19:05:04 GMT 2023 , Edited by admin on Sat Dec 16 19:05:04 GMT 2023
PRIMARY
EPA CompTox
DTXSID60998954
Created by admin on Sat Dec 16 19:05:04 GMT 2023 , Edited by admin on Sat Dec 16 19:05:04 GMT 2023
PRIMARY
FDA UNII
X24JVA4SAX
Created by admin on Sat Dec 16 19:05:04 GMT 2023 , Edited by admin on Sat Dec 16 19:05:04 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE