U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C11H13ClN2.ClH
Molecular Weight 245.148
Optical Activity ( + )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Epibatidine hydrochloride

SMILES

Cl.ClC1=CC=C(C=N1)[C@H]2C[C@@H]3CC[C@H]2N3

InChI

InChIKey=BLGAWVGDKRRESC-HHDYSPPTSA-N
InChI=1S/C11H13ClN2.ClH/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8;/h1,4,6,8-10,14H,2-3,5H2;1H/t8-,9+,10+;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Epibatidine hydrochloride
Common Name English
(+)-Epibatidine hydrochloride
Common Name English
7-Azabicyclo[2.2.1]heptane, 2-(6-chloro-3-pyridinyl)-, hydrochloride (1:1), (1R,2R,4S)-
Systematic Name English
7-Azabicyclo[2.2.1]heptane, 2-(6-chloro-3-pyridinyl)-, monohydrochloride, (1R-exo)-
Systematic Name English
Code System Code Type Description
PUBCHEM
24206423
Created by admin on Sat Dec 16 08:23:34 UTC 2023 , Edited by admin on Sat Dec 16 08:23:34 UTC 2023
PRIMARY
EPA CompTox
DTXSID4048939
Created by admin on Sat Dec 16 08:23:34 UTC 2023 , Edited by admin on Sat Dec 16 08:23:34 UTC 2023
PRIMARY
CAS
152885-09-1
Created by admin on Sat Dec 16 08:23:34 UTC 2023 , Edited by admin on Sat Dec 16 08:23:34 UTC 2023
PRIMARY
FDA UNII
PVW7T848XX
Created by admin on Sat Dec 16 08:23:34 UTC 2023 , Edited by admin on Sat Dec 16 08:23:34 UTC 2023
PRIMARY