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Details

Stereochemistry ACHIRAL
Molecular Formula C12H12N2O.ClH
Molecular Weight 236.697
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Harmalol hydrochloride

SMILES

Cl.CC1=NCCC2=C1NC3=C2C=CC(O)=C3

InChI

InChIKey=BSWAWVOHMZNXOS-UHFFFAOYSA-N
InChI=1S/C12H12N2O.ClH/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12;/h2-3,6,14-15H,4-5H2,1H3;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 C12H12N2O
Molecular Weight 200.2365
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.
2006 Nov
Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:09:04 GMT 2023
Edited
by admin
on Sat Dec 16 10:09:04 GMT 2023
Record UNII
5GP4735JS4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Harmalol hydrochloride
Common Name English
NSC-640461
Code English
11-Hydroxyharmalan hydrochloride
Common Name English
Harmalol, hydrochloride
Common Name English
1-METHYL-3,4-DIHYDRO-BETA-CARBOLINE-7-OL HYDROCHLORIDE
Systematic Name English
3H-Pyrido[3,4-b]indol-7-ol, 4,9-dihydro-1-methyl-, hydrochloride (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50975693
Created by admin on Sat Dec 16 10:09:04 GMT 2023 , Edited by admin on Sat Dec 16 10:09:04 GMT 2023
PRIMARY
PUBCHEM
145825
Created by admin on Sat Dec 16 10:09:04 GMT 2023 , Edited by admin on Sat Dec 16 10:09:04 GMT 2023
PRIMARY
FDA UNII
5GP4735JS4
Created by admin on Sat Dec 16 10:09:04 GMT 2023 , Edited by admin on Sat Dec 16 10:09:04 GMT 2023
PRIMARY
CAS
6028-07-5
Created by admin on Sat Dec 16 10:09:04 GMT 2023 , Edited by admin on Sat Dec 16 10:09:04 GMT 2023
PRIMARY
NSC
640461
Created by admin on Sat Dec 16 10:09:04 GMT 2023 , Edited by admin on Sat Dec 16 10:09:04 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE