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Details

Stereochemistry RACEMIC
Molecular Formula C22H38NO4.Br
Molecular Weight 460.445
Optical Activity ( + / - )
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0
Stereo Comments Assumed racemic

SHOW SMILES / InChI
Structure of TRIETHYL-(((2-((2-HYDROXY-2-(4-METHOXYPHENYL)-3,3-DIMETHYL-PENTANOYLOXY))ETHYL)))AMMONIUM BROMIDE

SMILES

[Br-].CCC(C)(C)C(O)(C(=O)OCC[N+](CC)(CC)CC)C1=CC=C(OC)C=C1

InChI

InChIKey=VNEDVKNXJORZBY-UHFFFAOYSA-M
InChI=1S/C22H38NO4.BrH/c1-8-21(5,6)22(25,18-12-14-19(26-7)15-13-18)20(24)27-17-16-23(9-2,10-3)11-4;/h12-15,25H,8-11,16-17H2,1-7H3;1H/q+1;/p-1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
TRIETHYL-(((2-((2-HYDROXY-2-(4-METHOXYPHENYL)-3,3-DIMETHYL-PENTANOYLOXY))ETHYL)))AMMONIUM BROMIDE
Systematic Name English
ETHANAMINIUM, N,N,N-TRIETHYL-2-((2-HYDROXY-2-(4-METHOXYPHENYL)-3,3-DIMETHYL-1-OXOPENTYL)OXY)-, BROMIDE (1:1)
Preferred Name English
VALERIC ACID, 2-HYDROXY-2-(P-METHOXYPHENYL)-3,3-DIMETHYL-, ESTER WITH TRIETHYL(2-HYDROXYETHYL)AMMONIUM BROMIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
137321709
Created by admin on Mon Mar 31 17:56:32 GMT 2025 , Edited by admin on Mon Mar 31 17:56:32 GMT 2025
PRIMARY
CAS
22311-92-8
Created by admin on Mon Mar 31 17:56:32 GMT 2025 , Edited by admin on Mon Mar 31 17:56:32 GMT 2025
PRIMARY
FDA UNII
2CB28X3133
Created by admin on Mon Mar 31 17:56:32 GMT 2025 , Edited by admin on Mon Mar 31 17:56:32 GMT 2025
PRIMARY
NIH
NCATS
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