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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H15NO2.ClH
Molecular Weight 253.725
Optical Activity ( - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SECURININE HYDROCHLORIDE

SMILES

Cl.O=C1O[C@@]23C[C@@H](C=CC2=C1)N4CCCC[C@H]34

InChI

InChIKey=SMLPFGHXMCDFRC-CSTPHZADSA-N
InChI=1S/C13H15NO2.ClH/c15-12-7-9-4-5-10-8-13(9,16-12)11-3-1-2-6-14(10)11;/h4-5,7,10-11H,1-3,6,8H2;1H/t10-,11-,13+;/m1./s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Patents

Patents

WO2015051317A1
2
Name Type Language
SECURINAN-11-ONE, HYDROCHLORIDE
Preferred Name English
SECURININE HYDROCHLORIDE
Common Name English
8H-6,11B-METHANOFURO(2,3-C)PYRIDO(1,2-A)AZEPIN-2(6H)-ONE, 9,10,11,11A-TETRAHYDRO-, HYDROCHLORIDE (1:1), (6S,11AR,11BS)-
Systematic Name English
SECURININE HYDROCHLORIDE [MI]
Common Name English
Code System Code Type Description
CAS
113200-97-8
Created by admin on Wed Apr 02 01:16:57 GMT 2025 , Edited by admin on Wed Apr 02 01:16:57 GMT 2025
PRIMARY
FDA UNII
2YR3TL4U06
Created by admin on Wed Apr 02 01:16:57 GMT 2025 , Edited by admin on Wed Apr 02 01:16:57 GMT 2025
PRIMARY
PUBCHEM
133082998
Created by admin on Wed Apr 02 01:16:57 GMT 2025 , Edited by admin on Wed Apr 02 01:16:57 GMT 2025
PRIMARY
MERCK INDEX
m9829
Created by admin on Wed Apr 02 01:16:57 GMT 2025 , Edited by admin on Wed Apr 02 01:16:57 GMT 2025
PRIMARY
PARENT (SALT/SOLVATE)
Structure of SECURININE
NIH
NCATS
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