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Details

Stereochemistry ACHIRAL
Molecular Formula C19H16N2.H2O
Molecular Weight 290.359
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SEMPERVIRINE MONOHYDRATE

SMILES

O.C1CCC2=C[N+]3=CC=C4C5=C([N-]C4=C3C=C2C1)C=CC=C5

InChI

InChIKey=VTQUDARLEUSVLP-UHFFFAOYSA-N
InChI=1S/C19H16N2.H2O/c1-2-6-14-12-21-10-9-16-15-7-3-4-8-17(15)20-19(16)18(21)11-13(14)5-1;/h3-4,7-12H,1-2,5-6H2;1H2

HIDE SMILES / InChI

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 C19H16N2
Molecular Weight 272.3437
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 06:41:08 GMT 2023
Edited
by admin
on Sat Dec 16 06:41:08 GMT 2023
Record UNII
MT430V1J34
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SEMPERVIRINE MONOHYDRATE
MI  
Common Name English
SEMPERVIRINE MONOHYDRATE [MI]
Common Name English
1H-BENZ(G)INDOLO(2,3-A)QUINOLIZIN-6-IUM, 2,3,4,13-TETRAHYDRO-, INNER SALT, MONOHYDRATE
Systematic Name English
Code System Code Type Description
MERCK INDEX
m9856
Created by admin on Sat Dec 16 06:41:08 GMT 2023 , Edited by admin on Sat Dec 16 06:41:08 GMT 2023
PRIMARY Merck Index
FDA UNII
MT430V1J34
Created by admin on Sat Dec 16 06:41:08 GMT 2023 , Edited by admin on Sat Dec 16 06:41:08 GMT 2023
PRIMARY
PUBCHEM
76963090
Created by admin on Sat Dec 16 06:41:08 GMT 2023 , Edited by admin on Sat Dec 16 06:41:08 GMT 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE