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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H13ClN2O.ClH
Molecular Weight 261.148
Optical Activity ( - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ROPANICANT HYDROCHLORIDE, (-)-

SMILES

c1cc(Cl)ncc1OC[C@@]2([H])C[C@]3([H])C[C@]3([H])N2.Cl

InChI

InChIKey=VZIQKVIAFWXNFL-NDYRHZEOSA-N
InChI=1S/C11H13ClN2O.ClH/c12-11-2-1-9(5-13-11)15-6-8-3-7-4-10(7)14-8;/h1-2,5,7-8,10,14H,3-4,6H2;1H/t7-,8-,10+;/m1./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.4609
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C11H13ClN2O
Molecular Weight 224.6871
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 01:11:17 UTC 2021
Edited
by admin
on Sat Jun 26 01:11:17 UTC 2021
Record UNII
RVE9RLZ25R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ROPANICANT HYDROCHLORIDE, (-)-
Common Name English
2-AZABICYCLO(3.1.0)HEXANE, 3-(((6-CHLORO-3-PYRIDINYL)OXY)METHYL)-, HYDROCHLORIDE (1:1), (1S,3R,5S)-
Systematic Name English
Code System Code Type Description
FDA UNII
RVE9RLZ25R
Created by admin on Sat Jun 26 01:11:17 UTC 2021 , Edited by admin on Sat Jun 26 01:11:17 UTC 2021
PRIMARY
PUBCHEM
155801580
Created by admin on Sat Jun 26 01:11:17 UTC 2021 , Edited by admin on Sat Jun 26 01:11:17 UTC 2021
PRIMARY PUBCHEM
CAS
2414674-13-6
Created by admin on Sat Jun 26 01:11:17 UTC 2021 , Edited by admin on Sat Jun 26 01:11:17 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
ENANTIOMER -> ENANTIOMER