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Details

Stereochemistry RACEMIC
Molecular Formula C13H19NO2.ClH.H2O
Molecular Weight 275.772
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CARNEGINE HYDROCHLORIDE MONOHYDRATE

SMILES

O.Cl.COC1=CC2=C(C=C1OC)C(C)N(C)CC2

InChI

InChIKey=GGHRQBDFVQEZIM-UHFFFAOYSA-N
InChI=1S/C13H19NO2.ClH.H2O/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;1H2

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

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Tetrahydroisoquinoline and beta-carboline alkaloids from Haloxylon articulatum (Cav.) Bunge (Chenopodiaceae).
2003 Jul-Aug
Molluscicidal activity of Hammada scoparia (Pomel) Iljin leaf extracts and the principal alkaloids isolated from them against Galba truncatula.
2009 Nov
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:13:35 GMT 2023
Edited
by admin
on Sat Dec 16 09:13:35 GMT 2023
Record UNII
I43CC3F9QU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CARNEGINE HYDROCHLORIDE MONOHYDRATE
MI  
Common Name English
(±)-CARNEGINE HYDROCHLORIDE MONOHYDRATE
Common Name English
ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-1,2-DIMETHYL-, HYDROCHLORIDE, HYDRATE (1:1:1)
Systematic Name English
CARNEGINE HYDROCHLORIDE MONOHYDRATE [MI]
Common Name English
Code System Code Type Description
PUBCHEM
72941465
Created by admin on Sat Dec 16 09:13:35 GMT 2023 , Edited by admin on Sat Dec 16 09:13:35 GMT 2023
PRIMARY
MERCK INDEX
m3117
Created by admin on Sat Dec 16 09:13:35 GMT 2023 , Edited by admin on Sat Dec 16 09:13:35 GMT 2023
PRIMARY Merck Index
CAS
5864-18-6
Created by admin on Sat Dec 16 09:13:35 GMT 2023 , Edited by admin on Sat Dec 16 09:13:35 GMT 2023
PRIMARY
FDA UNII
I43CC3F9QU
Created by admin on Sat Dec 16 09:13:35 GMT 2023 , Edited by admin on Sat Dec 16 09:13:35 GMT 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE