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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H15NO2.HNO3
Molecular Weight 280.2765
Optical Activity ( - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SECURININE NITRATE

SMILES

O[N+]([O-])=O.[H][C@]12CCCCN1[C@H]3C[C@@]24OC(=O)C=C4C=C3

InChI

InChIKey=GTMBYDCKQUSFCT-CSTPHZADSA-N
InChI=1S/C13H15NO2.HNO3/c15-12-7-9-4-5-10-8-13(9,16-12)11-3-1-2-6-14(10)11;2-1(3)4/h4-5,7,10-11H,1-3,6,8H2;(H,2,3,4)/t10-,11-,13+;/m1./s1

HIDE SMILES / InChI

Molecular Formula C13H15NO2
Molecular Weight 217.2637
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula HNO3
Molecular Weight 63.0128
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:06:35 UTC 2023
Edited
by admin
on Fri Dec 15 15:06:35 UTC 2023
Record UNII
175YS6368Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SECURININE NITRATE
MI   WHO-DD  
Common Name English
SECURININE NITRATE [MI]
Common Name English
Securinine nitrate [WHO-DD]
Common Name English
SECURINAN-11-ONE, NITRATE
Common Name English
8H-6,11B-METHANOFURO(2,3-C)PYRIDO(1,2-A)AZEPIN-2(6H)-ONE, 9,10,11,11A-TETRAHYDRO-, (6S,11AR,11BS)-, NITRATE (1:1)
Common Name English
Code System Code Type Description
CAS
7104-26-9
Created by admin on Fri Dec 15 15:06:35 UTC 2023 , Edited by admin on Fri Dec 15 15:06:35 UTC 2023
PRIMARY
PUBCHEM
23618435
Created by admin on Fri Dec 15 15:06:35 UTC 2023 , Edited by admin on Fri Dec 15 15:06:35 UTC 2023
PRIMARY
MESH
C000785
Created by admin on Fri Dec 15 15:06:35 UTC 2023 , Edited by admin on Fri Dec 15 15:06:35 UTC 2023
PRIMARY
FDA UNII
175YS6368Q
Created by admin on Fri Dec 15 15:06:35 UTC 2023 , Edited by admin on Fri Dec 15 15:06:35 UTC 2023
PRIMARY
EPA CompTox
DTXSID20991340
Created by admin on Fri Dec 15 15:06:35 UTC 2023 , Edited by admin on Fri Dec 15 15:06:35 UTC 2023
PRIMARY
MERCK INDEX
m9829
Created by admin on Fri Dec 15 15:06:35 UTC 2023 , Edited by admin on Fri Dec 15 15:06:35 UTC 2023
PRIMARY Merck Index
Related Record Type Details
PARENT -> SALT/SOLVATE