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Details

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

SHOW SMILES / InChI
Structure of 3-(BIS(2-CHLOROETHYL)AMINO)-4-METHYLBENZOIC ACID

SMILES

CC1=CC=C(C=C1N(CCCl)CCCl)C(O)=O

InChI

InChIKey=DKROWFJGHDLNFQ-UHFFFAOYSA-N
InChI=1S/C12H15Cl2NO2/c1-9-2-3-10(12(16)17)8-11(9)15(6-4-13)7-5-14/h2-3,8H,4-7H2,1H3,(H,16,17)

HIDE SMILES / InChI

Molecular Formula C12H15Cl2NO2
Molecular Weight 276.159
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Structure-antileukemic activity relationship study of B- and D-ring modified and nonmodified steroidal esters of 4-methyl-3-N,N-bis(2-chloroethyl)amino benzoic acid: a comparative study.
2007-10
A new approach for evaluating in vivo anti-leukemic activity using the SCE assay. An application on three newly synthesised anti-tumour steroidal esters.
2003-02-05
Antileukemic and cytogenetic effects of modified and non-modified esteric steroidal derivatives of 4-methyl-3-bis(2-chloroethyl)amino benzoic acid (4-Me-CABA).
2002-08-15
Substance Class Chemical
Created
by admin
on Mon Mar 31 18:40:58 GMT 2025
Edited
by admin
on Mon Mar 31 18:40:58 GMT 2025
Record UNII
77139CHG44
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BIS-CHLOROETHYLAMINO METHYLBENZOIC ACID
WHO-DD  
Preferred Name English
3-(BIS(2-CHLOROETHYL)AMINO)-4-METHYLBENZOIC ACID
Systematic Name English
IOB 82
Code English
Bis-chloroethylamino methylbenzoic acid [WHO-DD]
Common Name English
BIS(2-CHLOROETHYL)AMINO-4-METHYLBENZOIC ACID, 3-
Common Name English
BENZOIC ACID, 3-(BIS(2-CHLOROETHYL)AMINO)-4-METHYL-
Systematic Name English
3-(N,N'-BIS(2-CHLOROETHYL)AMINO)-4-METHYLBENZOIC ACID
Common Name English
ALKYROM
Brand Name English
3-(N,N-BIS(2-CHLOROETHYL)AMINO)-P-TOLUIC ACID
Common Name English
NSC-146171
Code English
P-TOLUIC ACID, 3-(BIS(2-CHLOROETHYL)AMINO)-
Systematic Name English
Code System Code Type Description
CAS
5977-35-5
Created by admin on Mon Mar 31 18:40:58 GMT 2025 , Edited by admin on Mon Mar 31 18:40:58 GMT 2025
PRIMARY
PUBCHEM
80078
Created by admin on Mon Mar 31 18:40:58 GMT 2025 , Edited by admin on Mon Mar 31 18:40:58 GMT 2025
PRIMARY
NSC
146171
Created by admin on Mon Mar 31 18:40:58 GMT 2025 , Edited by admin on Mon Mar 31 18:40:58 GMT 2025
PRIMARY
FDA UNII
77139CHG44
Created by admin on Mon Mar 31 18:40:58 GMT 2025 , Edited by admin on Mon Mar 31 18:40:58 GMT 2025
PRIMARY
EPA CompTox
DTXSID20208501
Created by admin on Mon Mar 31 18:40:58 GMT 2025 , Edited by admin on Mon Mar 31 18:40:58 GMT 2025
PRIMARY