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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
Stereo Comments Racemic in Scifinder

SHOW SMILES / InChI
Structure of ROPANICANT HYDROCHLORIDE

SMILES

Cl.ClC1=NC=C(OC[C@@H]2C[C@H]3C[C@H]3N2)C=C1

InChI

InChIKey=VZIQKVIAFWXNFL-ANYFZDTESA-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+;/m0./s1

HIDE SMILES / InChI

Molecular Formula C11H13ClN2O
Molecular Weight 224.687
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
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 18:41:18 UTC 2023
Edited
by admin
on Sat Dec 16 18:41:18 UTC 2023
Record UNII
HE3QJ0MMVA
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), (1R,3S,5R)-
Systematic Name English
ROPANICANT HYDROCHLORIDE, (+)-
Common Name English
Code System Code Type Description
CAS
2414674-71-6
Created by admin on Sat Dec 16 18:41:18 UTC 2023 , Edited by admin on Sat Dec 16 18:41:18 UTC 2023
PRIMARY
PUBCHEM
146026958
Created by admin on Sat Dec 16 18:41:18 UTC 2023 , Edited by admin on Sat Dec 16 18:41:18 UTC 2023
PRIMARY
FDA UNII
HE3QJ0MMVA
Created by admin on Sat Dec 16 18:41:18 UTC 2023 , Edited by admin on Sat Dec 16 18:41:18 UTC 2023
PRIMARY
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PARENT -> SALT/SOLVATE
ENANTIOMER -> ENANTIOMER
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ACTIVE MOIETY