U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry MIXED
Molecular Formula C29H37NO3.C6H8O7
Molecular Weight 639.7325
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-4-METHOXY-.ALPHA.-PHENYL 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=CC=C2)C3=CC=C(OCCN(CC)CC)C=C3

InChI

InChIKey=CMWDHRAFKIMMGG-UHFFFAOYSA-N
InChI=1S/C29H37NO3.C6H8O7/c1-5-28(23-13-17-26(32-4)18-14-23)29(31,24-11-9-8-10-12-24)25-15-19-27(20-16-25)33-22-21-30(6-2)7-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-20,28,31H,5-7,21-22H2,1-4H3;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-4-METHOXY-.ALPHA.-PHENYL BENZENEETHANOL CITRATE (1:1)
Systematic Name English
PHENETHYL ALCOHOL, ALPHA-(P-(2-(DIETHYLAMINO)ETHOXY)PHENYL)-BETA-ETHYL-P-METHOXY-ALPHA-PHENYL-, CITRATE (1:1)
Common Name English
BENZENEETHANOL, .ALPHA.-(4-(2-(DIETHYLAMINO)ETHOXY)PHENYL)-.BETA.-ETHYL-4-METHOXY-.ALPHA.-PHENYL-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1)
Systematic Name English
BENZENEETHANOL, .ALPHA.-(4-(2-(DIETHYLAMINO)ETHOXY)PHENYL)-.BETA.-ETHYL-4-METHOXY-.ALPHA.-PHENYL-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1) (SALT)
Systematic Name English
Code System Code Type Description
PUBCHEM
215230
Created by admin on Sat Dec 16 09:51:33 GMT 2023 , Edited by admin on Sat Dec 16 09:51:33 GMT 2023
PRIMARY
EPA CompTox
DTXSID50956705
Created by admin on Sat Dec 16 09:51:33 GMT 2023 , Edited by admin on Sat Dec 16 09:51:33 GMT 2023
PRIMARY
CAS
35263-93-5
Created by admin on Sat Dec 16 09:51:33 GMT 2023 , Edited by admin on Sat Dec 16 09:51:33 GMT 2023
PRIMARY
FDA UNII
N6220RDT93
Created by admin on Sat Dec 16 09:51:33 GMT 2023 , Edited by admin on Sat Dec 16 09:51:33 GMT 2023
PRIMARY