BAY-1433

Details

Stereochemistry	RACEMIC
Molecular Formula	C18H29NO3.ClH
Molecular Weight	343.889
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CCN(CC)CCCOC(=O)C(O)(C(C)C)C1=CC=CC=C1

InChI

InChIKey=JROFPAJLIMXUII-UHFFFAOYSA-N

InChI=1S/C18H29NO3.ClH/c1-5-19(6-2)13-10-14-22-17(20)18(21,15(3)4)16-11-8-7-9-12-16;/h7-9,11-12,15,21H,5-6,10,13-14H2,1-4H3;1H

HIDE SMILES / InChI

Molecular Formula	C18H29NO3
Molecular Weight	307.4278
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

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 `Tue Apr 01 17:07:08 GMT 2025` Edited by `admin` on `Tue Apr 01 17:07:08 GMT 2025`
Record UNII	I373MDV6WR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BAY-1433

Common Name

English

NSC-263558

Preferred Name

English

MANDELIC ACID, .ALPHA.-ISOPROPYL-, 3-(DIETHYLAMINO)PROPYL ESTER, HYDROCHLORIDE

Systematic Name

English

3-(DIETHYLAMINO)PROPYL ALPHA-HYDROXY-ALPHA-(1-METHYLETHYL)BENZENEACETATE

Systematic Name

English

BENZENEACETIC ACID, .ALPHA.-HYDROXY-.ALPHA.-(1-METHYLETHYL)-, 3-(DIETHYLAMINO)PROPYL ESTER, HYDROCHLORIDE (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

27276

Created by admin on Tue Apr 01 17:07:08 GMT 2025 , Edited by admin on Tue Apr 01 17:07:08 GMT 2025

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CAS

15422-00-1

Created by admin on Tue Apr 01 17:07:08 GMT 2025 , Edited by admin on Tue Apr 01 17:07:08 GMT 2025

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NSC

263558

Created by admin on Tue Apr 01 17:07:08 GMT 2025 , Edited by admin on Tue Apr 01 17:07:08 GMT 2025

PRIMARY

FDA UNII

I373MDV6WR

Created by admin on Tue Apr 01 17:07:08 GMT 2025 , Edited by admin on Tue Apr 01 17:07:08 GMT 2025

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