U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C22H24NO5.Cl
Molecular Weight 417.883
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AZASPIRIUM CHLORIDE

SMILES

[Cl-].COC1=C2OC3=C(C[N+]4(CCCCC4)CC3=C)C(=O)C2=C(OC)C5=C1OC=C5

InChI

InChIKey=PYNSMGBGABAWPB-UHFFFAOYSA-M
InChI=1S/C22H24NO5.ClH/c1-13-11-23(8-5-4-6-9-23)12-15-17(24)16-19(25-2)14-7-10-27-20(14)22(26-3)21(16)28-18(13)15;/h7,10H,1,4-6,8-9,11-12H2,2-3H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C22H24NO5
Molecular Weight 382.4297
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Description

Azaspirium was studied as a spasmolytic and antihypertensive agent.

Approval Year

Substance Class Chemical
Record UNII
8Y7H79TF0I
Record Status Validated (UNII)
Record Version