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Details

Stereochemistry ACHIRAL
Molecular Formula C42H55Cl4N3O6
Molecular Weight 839.715
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHLORAMBUCIL TRIMER ESTER

SMILES

OC(=O)CCCC1=CC=C(C=C1)N(CCCl)CCOC(=O)CCCC2=CC=C(C=C2)N(CCCl)CCOC(=O)CCCC3=CC=C(C=C3)N(CCCl)CCCl

InChI

InChIKey=KIRTYVNZDQLBMN-UHFFFAOYSA-N
InChI=1S/C42H55Cl4N3O6/c43-22-26-47(27-23-44)37-16-10-35(11-17-37)5-2-8-41(52)55-33-31-49(29-25-46)39-20-14-36(15-21-39)6-3-9-42(53)54-32-30-48(28-24-45)38-18-12-34(13-19-38)4-1-7-40(50)51/h10-21H,1-9,22-33H2,(H,50,51)

HIDE SMILES / InChI

Molecular Formula C42H55Cl4N3O6
Molecular Weight 839.715
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 10:43:57 UTC 2023
Edited
by admin
on Thu Jul 06 10:43:57 UTC 2023
Record UNII
54X7T28CLD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHLORAMBUCIL TRIMER ESTER
Common Name English
4-(4-((2-((4-(4-((2-((4-(4-(BIS(2-CHLOROETHYL)AMINO)PHENYL)BUTANOYL)OXY)ETHYL)(2-CHLOROETHYL)AMINO)PHENYL)BUTANOYL)OXY)ETHYL)(2-CHLOROETHYL)AMINO)PHENYL)BUTANOIC ACID
Systematic Name English
CHLORAMBUCIL IMPURITY F [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
54X7T28CLD
Created by admin on Thu Jul 06 10:43:57 UTC 2023 , Edited by admin on Thu Jul 06 10:43:57 UTC 2023
PRIMARY
PUBCHEM
76971341
Created by admin on Thu Jul 06 10:43:57 UTC 2023 , Edited by admin on Thu Jul 06 10:43:57 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY