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Details

Stereochemistry ACHIRAL
Molecular Formula C14H19Cl2NO2
Molecular Weight 304.212
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ORTHO-CHLORAMBUCIL

SMILES

OC(=O)CCCC1=C(C=CC=C1)N(CCCl)CCCl

InChI

InChIKey=JLERWRRRDFUKIT-UHFFFAOYSA-N
InChI=1S/C14H19Cl2NO2/c15-8-10-17(11-9-16)13-6-2-1-4-12(13)5-3-7-14(18)19/h1-2,4,6H,3,5,7-11H2,(H,18,19)

HIDE SMILES / InChI

Molecular Formula C14H19Cl2NO2
Molecular Weight 304.212
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 Thu Jul 06 10:43:58 UTC 2023
Edited
by admin
on Thu Jul 06 10:43:58 UTC 2023
Record UNII
XL3657PT9U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ORTHO-CHLORAMBUCIL
Common Name English
4-(2-(BIS(2-CHLOROETHYL)AMINO)PHENYL)BUTANOIC ACID
Systematic Name English
CHLORAMBUCIL IMPURITY G, ORTHO-CHLORAMBUCIL-
Common Name English
NSC-43430
Code English
BENZENEBUTANOIC ACID, 2-(BIS(2-CHLOROETHYL)AMINO)-
Common Name English
BUTYRIC ACID, 4-(O-(BIS(2-CHLOROETHYL)AMINO)PHENYL)-
Common Name English
Code System Code Type Description
FDA UNII
XL3657PT9U
Created by admin on Thu Jul 06 10:43:58 UTC 2023 , Edited by admin on Thu Jul 06 10:43:58 UTC 2023
PRIMARY
EPA CompTox
DTXSID90170488
Created by admin on Thu Jul 06 10:43:58 UTC 2023 , Edited by admin on Thu Jul 06 10:43:58 UTC 2023
PRIMARY
NSC
43430
Created by admin on Thu Jul 06 10:43:58 UTC 2023 , Edited by admin on Thu Jul 06 10:43:58 UTC 2023
PRIMARY
PUBCHEM
238870
Created by admin on Thu Jul 06 10:43:58 UTC 2023 , Edited by admin on Thu Jul 06 10:43:58 UTC 2023
PRIMARY
CAS
178481-89-5
Created by admin on Thu Jul 06 10:43:58 UTC 2023 , Edited by admin on Thu Jul 06 10:43:58 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY