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Details

Stereochemistry MIXED
Molecular Formula C29H37NO4.C6H8O7
Molecular Weight 655.7319
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-(4-(2-(DIETHYLAMINO)ETHOXY)PHENYL)-.BETA.-ETHYL-.ALPHA.-(4-HYDROXYPHENYL)-4-METHOXY BENZENEETHANOL CITRATE (1:1)

SMILES

OC(=O)CC(O)(CC(O)=O)C(O)=O.CCC(C1=CC=C(OC)C=C1)C(O)(C2=CC=C(O)C=C2)C3=CC=C(OCCN(CC)CC)C=C3

InChI

InChIKey=DFDFYJOAECKIGX-UHFFFAOYSA-N
InChI=1S/C29H37NO4.C6H8O7/c1-5-28(22-8-16-26(33-4)17-9-22)29(32,23-10-14-25(31)15-11-23)24-12-18-27(19-13-24)34-21-20-30(6-2)7-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-19,28,31-32H,5-7,20-21H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

HIDE SMILES / InChI

Approval Year

Name Type Language
.ALPHA.-(4-(2-(DIETHYLAMINO)ETHOXY)PHENYL)-.BETA.-ETHYL-.ALPHA.-(4-HYDROXYPHENYL)-4-METHOXY BENZENEETHANOL CITRATE (1:1)
Systematic Name English
BENZENEETHANOL, .ALPHA.-(4-(2-(DIETHYLAMINO)ETHOXY)PHENYL)-.BETA.-ETHYL-.ALPHA.-(4-HYDROXYPHENYL)-4-METHOXY-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1)
Systematic Name English
PHENETHYL ALCOHOL, ALPHA-(P-(2-(DIETHYLAMINO)ETHOXY)PHENYL)-BETA-ETHYL-ALPHA-(P-HYDROXYPHENYL)-P-METHOXY-, CITRATE
Common Name English
BENZENEETHANOL, .ALPHA.-(4-(2-(DIETHYLAMINO)ETHOXY)PHENYL)-.BETA.-ETHYL-.ALPHA.-(4-HYDROXYPHENYL)-4-METHOXY-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1) (SALT)
Systematic Name English
Code System Code Type Description
PUBCHEM
215232
Created by admin on Sat Dec 16 10:44:50 GMT 2023 , Edited by admin on Sat Dec 16 10:44:50 GMT 2023
PRIMARY
FDA UNII
6198URY27G
Created by admin on Sat Dec 16 10:44:50 GMT 2023 , Edited by admin on Sat Dec 16 10:44:50 GMT 2023
PRIMARY
CAS
35263-96-8
Created by admin on Sat Dec 16 10:44:50 GMT 2023 , Edited by admin on Sat Dec 16 10:44:50 GMT 2023
PRIMARY
EPA CompTox
DTXSID70956707
Created by admin on Sat Dec 16 10:44:50 GMT 2023 , Edited by admin on Sat Dec 16 10:44:50 GMT 2023
PRIMARY