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Details

Stereochemistry ACHIRAL
Molecular Formula C29H31NO2.ClH
Molecular Weight 462.023
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(2-(4-(2,2-Dimethyl-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)ethyl)pyrrolidine hydrochloride

SMILES

Cl.CC1(C)OC2=CC=CC=C2C(C3=CC=C(OCCN4CCCC4)C=C3)=C1C5=CC=CC=C5

InChI

InChIKey=ZDFFLAKCVYVGCF-UHFFFAOYSA-N
InChI=1S/C29H31NO2.ClH/c1-29(2)28(23-10-4-3-5-11-23)27(25-12-6-7-13-26(25)32-29)22-14-16-24(17-15-22)31-21-20-30-18-8-9-19-30;/h3-7,10-17H,8-9,18-21H2,1-2H3;1H

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
1-(2-(4-(2,2-Dimethyl-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)ethyl)pyrrolidine hydrochloride
Systematic Name English
Pyrrolidine, 1-[2-[4-(2,2-dimethyl-3-phenyl-2H-1-benzopyran-4-yl)phenoxy]ethyl]-, hydrochloride
Systematic Name English
Pyrrolidine, 1-[2-[4-(2,2-dimethyl-3-phenyl-2H-1-benzopyran-4-yl)phenoxy]ethyl]-, hydrochloride (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
3044939
Created by admin on Sat Dec 16 20:20:22 GMT 2023 , Edited by admin on Sat Dec 16 20:20:22 GMT 2023
PRIMARY
EPA CompTox
DTXSID60206607
Created by admin on Sat Dec 16 20:20:22 GMT 2023 , Edited by admin on Sat Dec 16 20:20:22 GMT 2023
PRIMARY
FDA UNII
2C3PK8T472
Created by admin on Sat Dec 16 20:20:22 GMT 2023 , Edited by admin on Sat Dec 16 20:20:22 GMT 2023
PRIMARY
CAS
57897-51-5
Created by admin on Sat Dec 16 20:20:22 GMT 2023 , Edited by admin on Sat Dec 16 20:20:22 GMT 2023
PRIMARY
NIH
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