PNU-157678

Details

Stereochemistry	RACEMIC
Molecular Formula	C11H11Cl2NO3.ClH
Molecular Weight	312.577
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.COC(=O)C(N)CC(=O)C1=CC=C(Cl)C(Cl)=C1

InChI

InChIKey=HSOIWCULNXJLEI-UHFFFAOYSA-N

InChI=1S/C11H11Cl2NO3.ClH/c1-17-11(16)9(14)5-10(15)6-2-3-7(12)8(13)4-6;/h2-4,9H,5,14H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula	C11H11Cl2NO3
Molecular Weight	276.116
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 `Mon Mar 31 21:42:02 GMT 2025` Edited by `admin` on `Mon Mar 31 21:42:02 GMT 2025`
Record UNII	TM84M5L4V2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENZENEBUTANOIC ACID, .ALPHA.-AMINO-3,4-DICHLORO-.GAMMA.-OXO-, METHYL ESTER, HYDROCHLORIDE

Preferred Name

English

PNU-157678

Code

English

PNU157678

Code

English

BENZENEBUTANOIC ACID, .ALPHA.-AMINO-3,4-DICHLORO-.GAMMA.-OXO-, METHYL ESTER, HYDROCHLORIDE (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

9948694

Created by admin on Mon Mar 31 21:42:02 GMT 2025 , Edited by admin on Mon Mar 31 21:42:02 GMT 2025

PRIMARY

FDA UNII

TM84M5L4V2

Created by admin on Mon Mar 31 21:42:02 GMT 2025 , Edited by admin on Mon Mar 31 21:42:02 GMT 2025

PRIMARY

CAS

202847-32-3

Created by admin on Mon Mar 31 21:42:02 GMT 2025 , Edited by admin on Mon Mar 31 21:42:02 GMT 2025

PRIMARY

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Amount:

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