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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H22N2O3.H2O
Molecular Weight 296.3621
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(pyrrolidin-1-yl)propan-1-ol hydrate, (1R,2R)-

SMILES

O.N[C@H](CN1CCCC1)[C@H](O)C2=CC=C3OCCOC3=C2

InChI

InChIKey=HYFHOPYHUGNXBX-XRZFDKQNSA-N
InChI=1S/C15H22N2O3.H2O/c16-12(10-17-5-1-2-6-17)15(18)11-3-4-13-14(9-11)20-8-7-19-13;/h3-4,9,12,15,18H,1-2,5-8,10,16H2;1H2/t12-,15-;/m1./s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
2-Amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(pyrrolidin-1-yl)propan-1-ol hydrate, (1R,2R)-
Systematic Name English
1-Pyrrolidinepropanol, β-amino-α-(2,3-dihydro-1,4-benzodioxin-6-yl)-, hydrate (1:1), (αR,βR)-
Systematic Name English
Code System Code Type Description
FDA UNII
56Y8HX5N8V
Created by admin on Sat Dec 16 19:51:36 GMT 2023 , Edited by admin on Sat Dec 16 19:51:36 GMT 2023
PRIMARY
PUBCHEM
146305571
Created by admin on Sat Dec 16 19:51:36 GMT 2023 , Edited by admin on Sat Dec 16 19:51:36 GMT 2023
PRIMARY
CAS
2244191-80-6
Created by admin on Sat Dec 16 19:51:36 GMT 2023 , Edited by admin on Sat Dec 16 19:51:36 GMT 2023
PRIMARY
NIH
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