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Details

Stereochemistry ACHIRAL
Molecular Formula C12H15Cl2NO2
Molecular Weight 276.159
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N,N-BIS(2-CHLOROETHYL)-P-AMINOPHENYLACETIC ACID

SMILES

OC(=O)CC1=CC=C(C=C1)N(CCCl)CCCl

InChI

InChIKey=RQAFMLCWWGDNLI-UHFFFAOYSA-N
InChI=1S/C12H15Cl2NO2/c13-5-7-15(8-6-14)11-3-1-10(2-4-11)9-12(16)17/h1-4H,5-9H2,(H,16,17)

HIDE SMILES / InChI

Molecular Formula C12H15Cl2NO2
Molecular Weight 276.159
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
The allylic 7-ketone at the steroidal skeleton is crucial for the antileukemic potency of chlorambucil's active metabolite steroidal esters.
2004 Nov
[Cytotoxic steroids with antiestrogenic activity of the 11alpha-acyloxyestra-1,3,5(10)-triene series].
2006 Mar-Apr
Aneugenic potential of the nitrogen mustard analogues melphalan, chlorambucil and p-N,N-bis(2-chloroethyl)aminophenylacetic acid in cell cultures in vitro.
2007 Apr 1
Cytogenetic and antineoplastic effects of modified steroidal alkylators.
2010 Feb
Fluorescence in situ hybridization in combination with the comet assay and micronucleus test in genetic toxicology.
2010 Sep 15
Patents
Substance Class Chemical
Created
by admin
on Tue Oct 22 14:17:53 UTC 2019
Edited
by admin
on Tue Oct 22 14:17:53 UTC 2019
Record UNII
32842A3UZP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N,N-BIS(2-CHLOROETHYL)-P-AMINOPHENYLACETIC ACID
Common Name English
PHENACID
Common Name English
(P-BIS(2-CHLOROETHYL)AMINOPHENYL)ACETIC ACID
Systematic Name English
BENZENEACETIC ACID, 4-(BIS(2-CHLOROETHYL)AMINO)-
Systematic Name English
PHENYLACETIC MUSTARD
Common Name English
NSC-71964
Code English
BIS(2-CHLOROETHYL)AMINOBENZENEACETIC ACID, 4-
Common Name English
PHENYLACETIC ACID MUSTARD
Common Name English
Code System Code Type Description
EPA CompTox
10477-72-2
Created by admin on Tue Oct 22 14:17:53 UTC 2019 , Edited by admin on Tue Oct 22 14:17:53 UTC 2019
PRIMARY
CAS
10477-72-2
Created by admin on Tue Oct 22 14:17:53 UTC 2019 , Edited by admin on Tue Oct 22 14:17:53 UTC 2019
PRIMARY
PUBCHEM
25306
Created by admin on Tue Oct 22 14:17:53 UTC 2019 , Edited by admin on Tue Oct 22 14:17:53 UTC 2019
PRIMARY
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