.ALPHA.-SEC-BUTYLMANDELIC ACID 2-(DIETHYLAMINO)ETHYL ESTER HYDROCHLORIDE

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

Structure Search

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

Molecular Formula	C18H29NO3
Molecular Weight	307.4278
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 17:57:48 GMT 2025` Edited by `admin` on `Mon Mar 31 17:57:48 GMT 2025`
Record UNII	CVS3R8AW9G
Record Status	`Validated (UNII)`
Record Version

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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

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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

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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