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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H17ClN2O.ClH
Molecular Weight 301.212
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PNU-282987

SMILES

Cl.ClC1=CC=C(C=C1)C(=O)N[C@H]2CN3CCC2CC3

InChI

InChIKey=HSEQUIRZHDYOIX-ZOWNYOTGSA-N
InChI=1S/C14H17ClN2O.ClH/c15-12-3-1-11(2-4-12)14(18)16-13-9-17-7-5-10(13)6-8-17;/h1-4,10,13H,5-9H2,(H,16,18);1H/t13-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C14H17ClN2O
Molecular Weight 264.751
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

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 09:53:32 UTC 2023
Edited
by admin
on Sat Dec 16 09:53:32 UTC 2023
Record UNII
810P1694K2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PNU-282987
Common Name English
BENZAMIDE, N-(3R)-1-AZABICYCLO(2.2.2)OCT-3-YL-4-CHLORO-, HYDROCHLORIDE (1:1)
Systematic Name English
BENZAMIDE, N-1-AZABICYCLO(2.2.2)OCT-3-YL-4-CHLORO-, MONOHYDROCHLORIDE, (R)-
Systematic Name English
BENZAMIDE, N-(3R)-1-AZABICYCLO(2.2.2)OCT-3-YL-4-CHLORO-, MONOHYDROCHLORIDE
Systematic Name English
Code System Code Type Description
FDA UNII
810P1694K2
Created by admin on Sat Dec 16 09:53:32 UTC 2023 , Edited by admin on Sat Dec 16 09:53:32 UTC 2023
PRIMARY
WIKIPEDIA
PNU-282,987
Created by admin on Sat Dec 16 09:53:32 UTC 2023 , Edited by admin on Sat Dec 16 09:53:32 UTC 2023
PRIMARY
EPA CompTox
DTXSID801017103
Created by admin on Sat Dec 16 09:53:32 UTC 2023 , Edited by admin on Sat Dec 16 09:53:32 UTC 2023
PRIMARY
PUBCHEM
11243536
Created by admin on Sat Dec 16 09:53:32 UTC 2023 , Edited by admin on Sat Dec 16 09:53:32 UTC 2023
PRIMARY
CAS
123464-89-1
Created by admin on Sat Dec 16 09:53:32 UTC 2023 , Edited by admin on Sat Dec 16 09:53:32 UTC 2023
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS
Related Record Type Details
ACTIVE MOIETY