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Details

Stereochemistry ACHIRAL
Molecular Formula C13H14N2O.ClH.2H2O
Molecular Weight 286.755
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HARMALINE HYDROCHLORIDE DIHYDRATE

SMILES

O.O.Cl.COC1=CC2=C(C=C1)C3=C(N2)C(C)=NCC3

InChI

InChIKey=LCEKUHFBUFUSSY-UHFFFAOYSA-N
InChI=1S/C13H14N2O.ClH.2H2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13;;;/h3-4,7,15H,5-6H2,1-2H3;1H;2*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 H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C13H14N2O
Molecular Weight 214.2631
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 02:06:17 UTC 2023
Edited
by admin
on Sat Dec 16 02:06:17 UTC 2023
Record UNII
5B4DGH2M9R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HARMALINE HYDROCHLORIDE DIHYDRATE
MI  
Systematic Name English
3H-PYRIDO(3,4-B)INDOLE, 4,9-DIHYDRO-7-METHOXY-1-METHYL-, MONOHYDROCHLORIDE, DIHYDRATE
Common Name English
3H-PYRIDO(3,4-B)INDOLE, 4,9-DIHYDRO-7-METHOXY-1-METHYL-, HYDROCHLORIDE, HYDRATE (1:1:2)
Systematic Name English
HARMALINE HYDROCHLORIDE DIHYDRATE [MI]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID20975685
Created by admin on Sat Dec 16 02:06:17 UTC 2023 , Edited by admin on Sat Dec 16 02:06:17 UTC 2023
PRIMARY
CAS
6027-98-1
Created by admin on Sat Dec 16 02:06:17 UTC 2023 , Edited by admin on Sat Dec 16 02:06:17 UTC 2023
PRIMARY
MERCK INDEX
m5916
Created by admin on Sat Dec 16 02:06:17 UTC 2023 , Edited by admin on Sat Dec 16 02:06:17 UTC 2023
PRIMARY Merck Index
PUBCHEM
2723643
Created by admin on Sat Dec 16 02:06:17 UTC 2023 , Edited by admin on Sat Dec 16 02:06:17 UTC 2023
PRIMARY
DRUG BANK
DBSALT002559
Created by admin on Sat Dec 16 02:06:17 UTC 2023 , Edited by admin on Sat Dec 16 02:06:17 UTC 2023
PRIMARY
FDA UNII
5B4DGH2M9R
Created by admin on Sat Dec 16 02:06:17 UTC 2023 , Edited by admin on Sat Dec 16 02:06:17 UTC 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE