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 C13H21NO3.ClH
Molecular Weight 275.772
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Isoproscaline hydrochloride

SMILES

Cl.COC1=CC(CCN)=CC(OC)=C1OC(C)C

InChI

InChIKey=GURNWYXOAVSCDU-UHFFFAOYSA-N
InChI=1S/C13H21NO3.ClH/c1-9(2)17-13-11(15-3)7-10(5-6-14)8-12(13)16-4;/h7-9H,5-6,14H2,1-4H3;1H

HIDE SMILES / InChI

Molecular Formula C13H21NO3
Molecular Weight 239.3107
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 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

Approval Year

Substance Class Chemical
Record UNII
7E324BA5UE
Record Status Validated (UNII)
Record Version