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Details

Stereochemistry ACHIRAL
Molecular Formula C22H30N4O.H3O4P
Molecular Weight 464.495
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NSI-189 PHOSPHATE

SMILES

OP(O)(O)=O.CC(C)CCNC1=NC=CC=C1C(=O)N2CCN(CC3=CC=CC=C3)CC2

InChI

InChIKey=LWHMGALTTIYPJU-UHFFFAOYSA-N
InChI=1S/C22H30N4O.H3O4P/c1-18(2)10-12-24-21-20(9-6-11-23-21)22(27)26-15-13-25(14-16-26)17-19-7-4-3-5-8-19;1-5(2,3)4/h3-9,11,18H,10,12-17H2,1-2H3,(H,23,24);(H3,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula H3O4P
Molecular Weight 97.9952
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C22H30N4O
Molecular Weight 366.4998
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 09:16:25 UTC 2023
Edited
by admin
on Sat Dec 16 09:16:25 UTC 2023
Record UNII
HX0VO60T62
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSI-189 PHOSPHATE
Common Name English
METHANONE, (2-((3-METHYLBUTYL)AMINO)-3-PYRIDINYL)(4-(PHENYLMETHYL)-1-PIPERAZINYL)-, PHOSPHATE (1:1)
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 647018
Created by admin on Sat Dec 16 09:16:25 UTC 2023 , Edited by admin on Sat Dec 16 09:16:25 UTC 2023
Code System Code Type Description
FDA UNII
HX0VO60T62
Created by admin on Sat Dec 16 09:16:25 UTC 2023 , Edited by admin on Sat Dec 16 09:16:25 UTC 2023
PRIMARY
PUBCHEM
50922680
Created by admin on Sat Dec 16 09:16:25 UTC 2023 , Edited by admin on Sat Dec 16 09:16:25 UTC 2023
PRIMARY
CAS
1270138-41-4
Created by admin on Sat Dec 16 09:16:25 UTC 2023 , Edited by admin on Sat Dec 16 09:16:25 UTC 2023
PRIMARY
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