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Details

Stereochemistry MIXED
Molecular Formula C18H29NO3.ClH
Molecular Weight 343.889
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-SEC-BUTYLMANDELIC ACID 2-(DIETHYLAMINO)ETHYL ESTER HYDROCHLORIDE

SMILES

Cl.CCC(C)C(O)(C(=O)OCCN(CC)CC)C1=CC=CC=C1

InChI

InChIKey=JLLOITDKOWWFLF-UHFFFAOYSA-N
InChI=1S/C18H29NO3.ClH/c1-5-15(4)18(21,16-11-9-8-10-12-16)17(20)22-14-13-19(6-2)7-3;/h8-12,15,21H,5-7,13-14H2,1-4H3;1H

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
2'-(DIETHYLAMINO)ETHYL 2-HYDROXY-3-METHYL-2-PHENYL VALERIC ACID HYDROCHLORIDE
Preferred Name English
.ALPHA.-SEC-BUTYLMANDELIC ACID 2-(DIETHYLAMINO)ETHYL ESTER HYDROCHLORIDE
Common Name English
BENZENEACETIC ACID, .ALPHA.-HYDROXY-.ALPHA.-(1-METHYLPROPYL)-, 2-(DIETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE (1:1)
Systematic Name English
BENZENEACETIC ACID, .ALPHA.-HYDROXY-.ALPHA.-(1-METHYLPROPYL)-, 2-(DIETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
3060936
Created by admin on Mon Mar 31 17:57:48 GMT 2025 , Edited by admin on Mon Mar 31 17:57:48 GMT 2025
PRIMARY
CAS
78372-09-5
Created by admin on Mon Mar 31 17:57:48 GMT 2025 , Edited by admin on Mon Mar 31 17:57:48 GMT 2025
PRIMARY
EPA CompTox
DTXSID90999717
Created by admin on Mon Mar 31 17:57:48 GMT 2025 , Edited by admin on Mon Mar 31 17:57:48 GMT 2025
PRIMARY
FDA UNII
CVS3R8AW9G
Created by admin on Mon Mar 31 17:57:48 GMT 2025 , Edited by admin on Mon Mar 31 17:57:48 GMT 2025
PRIMARY
NIH
NCATS
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