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Details

Stereochemistry ACHIRAL
Molecular Formula C22H18NO4.Cl
Molecular Weight 395.836
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NK-314

SMILES

[Cl-].COC1=C2C3=C(O)CCCC3=C4C=CC=[N+]4C2=C5C=C6OCOC6=CC5=C1

InChI

InChIKey=BRFDCAFDRFHEKX-UHFFFAOYSA-N
InChI=1S/C22H17NO4.ClH/c1-25-19-9-12-8-17-18(27-11-26-17)10-14(12)22-21(19)20-13(4-2-6-16(20)24)15-5-3-7-23(15)22;/h3,5,7-10H,2,4,6,11H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula C22H17NO4
Molecular Weight 359.3747
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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:39:55 GMT 2023
Edited
by admin
on Sat Dec 16 09:39:55 GMT 2023
Record UNII
BH68FXM7X8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NK-314
Code English
1H-(1,3)BENZODIOXOLO(5,6-C)PYRROLO(1,2-F)PHENANTHRIDINIUM, 2,3-DIHYDRO-4-HYDROXY-5-METHOXY-, CHLORIDE (1:1)
Systematic Name English
1-HYDROXY-2-METHOXY-11A,13,14,15-TETRAHYDRO-6AH-(1,3)DIOXOLO(4',5':4,5)BENZO(1,2-C)PYRROLO(1,2-F)PHENANTHRIDIN-12-IUM CHLORIDE
Systematic Name English
1H-(1,3)BENZODIOXOLO(5,6-C)PYRROLO(1,2-F)PHENANTHRIDINIUM, 2,3-DIHYDRO-4-HYDROXY-5-METHOXY-, CHLORIDE
Systematic Name English
NK314
Code English
Code System Code Type Description
CAS
208237-49-4
Created by admin on Sat Dec 16 09:39:55 GMT 2023 , Edited by admin on Sat Dec 16 09:39:55 GMT 2023
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FDA UNII
BH68FXM7X8
Created by admin on Sat Dec 16 09:39:55 GMT 2023 , Edited by admin on Sat Dec 16 09:39:55 GMT 2023
PRIMARY
PUBCHEM
156596431
Created by admin on Sat Dec 16 09:39:55 GMT 2023 , Edited by admin on Sat Dec 16 09:39:55 GMT 2023
PRIMARY