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

Details

Stereochemistry RACEMIC
Molecular Formula C13H19NO2.BrH
Molecular Weight 302.207
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CARNEGINE HYDROBROMIDE

SMILES

Br.COC1=CC2=C(C=C1OC)C(C)N(C)CC2

InChI

InChIKey=NMHULEAVTUHYHU-UHFFFAOYSA-N
InChI=1S/C13H19NO2.BrH/c1-9-11-8-13(16-4)12(15-3)7-10(11)5-6-14(9)2;/h7-9H,5-6H2,1-4H3;1H

HIDE SMILES / InChI

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

Molecular Formula C13H19NO2
Molecular Weight 221.2955
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
N-Methyl-isosalsoline from Hammada scoparia.
2008 Aug 6
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:13:34 GMT 2023
Edited
by admin
on Sat Dec 16 09:13:34 GMT 2023
Record UNII
W3QBU271RV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CARNEGINE HYDROBROMIDE
Common Name English
ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-1,2-DIMETHYL-, HYDROBROMIDE (1:1)
Systematic Name English
CARNEGINE HYDROBROMIDE, (±)-
Common Name English
Code System Code Type Description
CAS
5852-93-7
Created by admin on Sat Dec 16 09:13:34 GMT 2023 , Edited by admin on Sat Dec 16 09:13:34 GMT 2023
PRIMARY
PUBCHEM
72941463
Created by admin on Sat Dec 16 09:13:34 GMT 2023 , Edited by admin on Sat Dec 16 09:13:34 GMT 2023
PRIMARY
FDA UNII
W3QBU271RV
Created by admin on Sat Dec 16 09:13:34 GMT 2023 , Edited by admin on Sat Dec 16 09:13:34 GMT 2023
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS