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Details

Stereochemistry ACHIRAL
Molecular Formula C12H16ClNO2
Molecular Weight 241.714
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MONOCHLOROETHYL CHLORAMBUCIL

SMILES

OC(=O)CCCC1=CC=C(NCCCl)C=C1

InChI

InChIKey=JKJKVYIHGWHFSO-UHFFFAOYSA-N
InChI=1S/C12H16ClNO2/c13-8-9-14-11-6-4-10(5-7-11)2-1-3-12(15)16/h4-7,14H,1-3,8-9H2,(H,15,16)

HIDE SMILES / InChI

Molecular Formula C12H16ClNO2
Molecular Weight 241.714
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 01:23:28 UTC 2023
Edited
by admin
on Thu Jul 06 01:23:28 UTC 2023
Record UNII
4Y8DQR959R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MONOCHLOROETHYL CHLORAMBUCIL
Common Name English
4-((2-CHLOROETHYL)AMINO)BENZENEBUTANOIC ACID
Systematic Name English
BENZENEBUTANOIC ACID, 4-((2-CHLOROETHYL)AMINO)-
Common Name English
CHLORAMBUCIL HALF MUSTARD
Common Name English
4-(4-((2-CHLOROETHYL)AMINO)PHENYL)BUTANOIC ACID
Systematic Name English
CHLORAMBUCIL IMPURITY B [EP IMPURITY]
Common Name English
Code System Code Type Description
CAS
116505-53-4
Created by admin on Thu Jul 06 01:23:28 UTC 2023 , Edited by admin on Thu Jul 06 01:23:28 UTC 2023
PRIMARY
PUBCHEM
83907
Created by admin on Thu Jul 06 01:23:28 UTC 2023 , Edited by admin on Thu Jul 06 01:23:28 UTC 2023
PRIMARY
FDA UNII
4Y8DQR959R
Created by admin on Thu Jul 06 01:23:28 UTC 2023 , Edited by admin on Thu Jul 06 01:23:28 UTC 2023
PRIMARY
EPA CompTox
DTXSID60151406
Created by admin on Thu Jul 06 01:23:28 UTC 2023 , Edited by admin on Thu Jul 06 01:23:28 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY