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Details

Stereochemistry ACHIRAL
Molecular Formula C16H22Cl3NO2
Molecular Weight 366.71
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHLORAMBUCIL CHLOROETHYL ESTER

SMILES

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

InChI

InChIKey=DUPWPMRXQCYAKW-UHFFFAOYSA-N
InChI=1S/C16H22Cl3NO2/c17-8-11-20(12-9-18)15-6-4-14(5-7-15)2-1-3-16(21)22-13-10-19/h4-7H,1-3,8-13H2

HIDE SMILES / InChI

Molecular Formula C16H22Cl3NO2
Molecular Weight 366.71
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 10:43:56 UTC 2023
Edited
by admin
on Thu Jul 06 10:43:56 UTC 2023
Record UNII
KI3JYQ5ELG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHLORAMBUCIL CHLOROETHYL ESTER
Common Name English
BENZENEBUTANOIC ACID, 4-(BIS(2-CHLOROETHYL)AMINO)-, 2-CHLOROETHYL ESTER
Common Name English
CHLORAMBUCIL IMPURITY D [EP IMPURITY]
Common Name English
2-CHLOROETHYL 4-(4-(BIS(2-CHLOROETHYL)AMINO)PHENYL)BUTANOATE
Systematic Name English
Code System Code Type Description
PUBCHEM
76959209
Created by admin on Thu Jul 06 10:43:56 UTC 2023 , Edited by admin on Thu Jul 06 10:43:56 UTC 2023
PRIMARY
ECHA (EC/EINECS)
304-088-4
Created by admin on Thu Jul 06 10:43:56 UTC 2023 , Edited by admin on Thu Jul 06 10:43:56 UTC 2023
PRIMARY
FDA UNII
KI3JYQ5ELG
Created by admin on Thu Jul 06 10:43:56 UTC 2023 , Edited by admin on Thu Jul 06 10:43:56 UTC 2023
PRIMARY
CAS
94236-91-6
Created by admin on Thu Jul 06 10:43:56 UTC 2023 , Edited by admin on Thu Jul 06 10:43:56 UTC 2023
PRIMARY
EPA CompTox
DTXSID501196946
Created by admin on Thu Jul 06 10:43:56 UTC 2023 , Edited by admin on Thu Jul 06 10:43:56 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY