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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H17ClN2O.ClH.H2O
Molecular Weight 319.227
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PNU-282987 MONOHYDRATE

SMILES

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

InChI

InChIKey=OCWLMMBVXIESNP-GXKRWWSZSA-N
InChI=1S/C14H17ClN2O.ClH.H2O/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;1H2/t13-;;/m0../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
PNU-282987 MONOHYDRATE
Common Name English
BENZAMIDE, N-(3R)-1-AZABICYCLO(2.2.2)OCT-3-YL-4-CHLORO-, HYDROCHLORIDE, HYDRATE (1:1:1)
Systematic Name English
PNU-282987 HYDRATE
Code English
Code System Code Type Description
FDA UNII
916D7SP4CX
Created by admin on Sat Dec 16 06:52:48 UTC 2023 , Edited by admin on Sat Dec 16 06:52:48 UTC 2023
PRIMARY
PUBCHEM
16219883
Created by admin on Sat Dec 16 06:52:48 UTC 2023 , Edited by admin on Sat Dec 16 06:52:48 UTC 2023
PRIMARY
CAS
1049739-43-6
Created by admin on Sat Dec 16 06:52:48 UTC 2023 , Edited by admin on Sat Dec 16 06:52:48 UTC 2023
PRIMARY