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

Details

Stereochemistry MIXED
Molecular Formula C13H26N2.2ClH
Molecular Weight 283.281
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0
Stereo Comments Assumed mixed

SHOW SMILES / InChI
Structure of 2-(DIMETHYLAMINOETHYL)-1,2,3,4,5,6,7,8-OCTAHYDROISOQUINOLINE DIHYDROCHLORIDE

SMILES

Cl.Cl.CN(C)CCN1CCC2CCCCC2C1

InChI

InChIKey=DVVXGPVBUDOWHY-UHFFFAOYSA-N
InChI=1S/C13H26N2.2ClH/c1-14(2)9-10-15-8-7-12-5-3-4-6-13(12)11-15;;/h12-13H,3-11H2,1-2H3;2*1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C13H26N2
Molecular Weight 210.3589
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:11:38 GMT 2023
Edited
by admin
on Fri Dec 15 15:11:38 GMT 2023
Record UNII
GO9HN93ZYQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(DIMETHYLAMINOETHYL)-1,2,3,4,5,6,7,8-OCTAHYDROISOQUINOLINE DIHYDROCHLORIDE
Systematic Name English
2(1H)-ISOQUINOLINEETHANAMINE, OCTAHYDRO-N,N-DIMETHYL-, HYDROCHLORIDE (1:2)
Systematic Name English
Code System Code Type Description
CAS
1087720-70-4
Created by admin on Fri Dec 15 15:11:38 GMT 2023 , Edited by admin on Fri Dec 15 15:11:38 GMT 2023
PRIMARY
PUBCHEM
135390843
Created by admin on Fri Dec 15 15:11:38 GMT 2023 , Edited by admin on Fri Dec 15 15:11:38 GMT 2023
PRIMARY
FDA UNII
GO9HN93ZYQ
Created by admin on Fri Dec 15 15:11:38 GMT 2023 , Edited by admin on Fri Dec 15 15:11:38 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE