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

Details

Stereochemistry ABSOLUTE
Molecular Formula C11H14ClN.8O2Si.ClH
Molecular Weight 712.824
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LORCASERIN HYDROCHLORIDE, ADSORBED ON SILICON DIOXIDE (1:2 W/W)

SMILES

Cl.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.C[C@H]1CNCCC2=C1C=C(Cl)C=C2

InChI

InChIKey=JDJKOSZGEYTQNN-UQDQVLRLSA-N
InChI=1S/C11H14ClN.ClH.8O2Si/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9;;8*1-3-2/h2-3,6,8,13H,4-5,7H2,1H3;1H;;;;;;;;/t8-;;;;;;;;;/m0........./s1

HIDE SMILES / InChI

Molecular Formula O2Si
Molecular Weight 60.0843
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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 C11H14ClN
Molecular Weight 195.689
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:49:55 UTC 2023
Edited
by admin
on Sat Dec 16 11:49:55 UTC 2023
Record UNII
3423KE0K4Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LORCASERIN HYDROCHLORIDE, ADSORBED ON SILICON DIOXIDE (1:2 W/W)
Common Name English
LORCASERIN HYDROCHLORIDE PREMIX
Common Name English
Code System Code Type Description
PUBCHEM
122706894
Created by admin on Sat Dec 16 11:49:55 UTC 2023 , Edited by admin on Sat Dec 16 11:49:55 UTC 2023
PRIMARY
FDA UNII
3423KE0K4Y
Created by admin on Sat Dec 16 11:49:55 UTC 2023 , Edited by admin on Sat Dec 16 11:49:55 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY